1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxylic acid

C12H12N6O2 — CID 62059594

IUPAC1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxylic acid
SMILESCc1cc(C)n2cc(Cn3cc(C(=O)O)nn3)nc2n1
InChIInChI=1S/C12H12N6O2/c1-7-3-8(2)18-5-9(14-12(18)13-7)4-17-6-10(11(19)20)15-16-17/h3,5-6H,4H2,1-2H3,(H,19,20)
InChIKeyUZFQPKMDNSLAMA-UHFFFAOYSA-N
MW272.27 g/mol
LogP0.68
Rot. Bonds3

About 1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxylic acid

1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxylic acid (PubChem CID 62059594) has the molecular formula C12H12N6O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is 1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxylic acid
PubChem CID62059594
Molecular FormulaC12H12N6O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxylic acid
SMILESCc1cc(C)n2cc(Cn3cc(C(=O)O)nn3)nc2n1
InChIInChI=1S/C12H12N6O2/c1-7-3-8(2)18-5-9(14-12(18)13-7)4-17-6-10(11(19)20)15-16-17/h3,5-6H,4H2,1-2H3,(H,19,20)
InChIKeyUZFQPKMDNSLAMA-UHFFFAOYSA-N
XLogP0.68
TPSA98.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazol-4-yl]acetic acid
CID 107461681
5,7-dimethyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 23910306
(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methanethiol
CID 87896349
1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxylic acid
CID 62060740
(3R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidin-3-ol
CID 112734197
methyl 1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate
CID 62026541
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetic acid
CID 63064159
5,7-dimethyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 56810275
[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789047
1-(1,2,5-thiadiazol-3-ylmethyl)triazole-4-carboxylic acid
CID 131123688
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazole-4-carboxylic acid
CID 62061064
1-[(2-acetamido-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid
CID 62060397

Frequently Asked Questions

What is the IUPAC name of 1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxylic acid (CID 62059594) is 1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxylic acid is Cc1cc(C)n2cc(Cn3cc(C(=O)O)nn3)nc2n1.
What is the InChIKey of 1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxylic acid?
The InChIKey is UZFQPKMDNSLAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2/c1-7-3-8(2)18-5-9(14-12(18)13-7)4-17-6-10(11(19)20)15-16-17/h3,5-6H,4H2,1-2H3,(H,19,20).
What are the key properties of 1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxylic acid?
1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxylic acid has a molecular weight of 272.27 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 62059594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).