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3-{6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoic acid

3-{6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoic acid

CAS: 1018052-60-2

Formula: C9H10N4O2

SMILES: CC1=CN2N=C(CCC(O)=O)N=C2N=C1

IUPAC: 3-{6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}propanoic acid

InChI: InChI=1S/C9H10N4O2/c1-6-4-10-9-11-7(2-3-8(14)15)12-13(9)5-6/h4-5H,2-3H2,1H3,(H,14,15)

Composition: C (52.42%), H (4.89%), N (27.17%), O (15.52%)

Molar Mass: 206.205

Atom Count: 25

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 206.080375578
Formal Charge 0
FSP3 0.33
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey NOXDGHMRVYJRCI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.16
Topological Polar Surface Area 80.38
Polarizability 19.41
Ring Count 2
Rotatable Bond Count 3

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Kinentia Biosciences LLC
Purity LeadTime CAS PacketSize UnitPrice
95% <14 Days 1018052-60-2 $330.75$330.75
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Crea-Chim UAB
Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 1018052-60-2 $322.40$322.40
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