2-({5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)benzoic acid

2-({5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)benzoic acid

CAS: 392739-38-7

Formula: C13H11N5O2

SMILES: CC1=NC2=NC=NN2C(NC2=C(C=CC=C2)C(O)=O)=C1

IUPAC: 2-({5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)benzoic acid

InChI: InChI=1S/C13H11N5O2/c1-8-6-11(18-13(16-8)14-7-15-18)17-10-5-3-2-4-9(10)12(19)20/h2-7,17H,1H3,(H,19,20)

Composition: C (57.99%), H (4.12%), N (26.01%), O (11.88%)

Molar Mass: 269.264

Atom Count: 31

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	269.091274614
Formal Charge	0
FSP3	0.08
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	FDSRVDAVPHJKDL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.19
Topological Polar Surface Area	92.41
Polarizability	26.39
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	392739-38-7		$404.27$404.27