7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

C7H5ClN4O2 — CID 84679300

IUPAC7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1nc2nc(C(=O)O)cc(Cl)n2n1
InChIInChI=1S/C7H5ClN4O2/c1-3-9-7-10-4(6(13)14)2-5(8)12(7)11-3/h2H,1H3,(H,13,14)
InChIKeyYHSJRPWSDXBDSY-UHFFFAOYSA-N
MW212.60 g/mol
LogP0.78
Rot. Bonds1

About 7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 84679300) has the molecular formula C7H5ClN4O2 and a molecular weight of 212.60 g/mol. Its IUPAC name is 7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID84679300
Molecular FormulaC7H5ClN4O2
Molecular Weight212.60 g/mol
Exact Mass212.01
IUPAC Name7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1nc2nc(C(=O)O)cc(Cl)n2n1
InChIInChI=1S/C7H5ClN4O2/c1-3-9-7-10-4(6(13)14)2-5(8)12(7)11-3/h2H,1H3,(H,13,14)
InChIKeyYHSJRPWSDXBDSY-UHFFFAOYSA-N
XLogP0.78
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.60
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-7-chloro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 115054997
ethyl 7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylate
CID 19989216
7-cyclopropyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 84683520
7-(4-bromophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 84609529
7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271539
2-tert-butyl-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271525
7-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271527
4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid
CID 163216957
7-chloro-2,4,5-trimethylpyrrolo[2,1-f][1,2,4]triazine
CID 163275399
2-amino-7-methoxycarbonyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 59461318
2,5-dimethyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 28823008
6-methoxy-4-methylpyridine-2,5-dicarboxylic acid
CID 91509956

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 84679300) is 7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is Cc1nc2nc(C(=O)O)cc(Cl)n2n1.
What is the InChIKey of 7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is YHSJRPWSDXBDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O2/c1-3-9-7-10-4(6(13)14)2-5(8)12(7)11-3/h2H,1H3,(H,13,14).
What are the key properties of 7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 212.60 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 84679300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).