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3-[(6-methoxypyridin-3-yl)amino]-2-(2H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile

3-[(6-methoxypyridin-3-yl)amino]-2-(2H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile

CAS: 1025570-25-5

Formula: C10H9N7O

SMILES: COC1=NC=C(NC=C(C#N)C2=NNN=N2)C=C1

IUPAC: 3-[(6-methoxypyridin-3-yl)amino]-2-(2H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile

InChI: InChI=1S/C10H9N7O/c1-18-9-3-2-8(6-13-9)12-5-7(4-11)10-14-16-17-15-10/h2-3,5-6,12H,1H3,(H,14,15,16,17)

Composition: C (49.38%), H (3.73%), N (40.31%), O (6.58%)

Molar Mass: 243.23

Atom Count: 27

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 243.086857938
Formal Charge 0
FSP3 0.1
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 2
InChIKey RALHJPHEWGURJQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.92
Topological Polar Surface Area 112.4
Polarizability 22.95
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 1025570-25-5 $51.35-$524.40$51.35$63.37$86.31$524.40
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