5-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazole-4-carboxylic acid

C12H12N6O2 — CID 62060125

IUPAC5-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)nnn1Cc1cn2cccnc2n1
InChIInChI=1S/C12H12N6O2/c1-2-9-10(11(19)20)15-16-18(9)7-8-6-17-5-3-4-13-12(17)14-8/h3-6H,2,7H2,1H3,(H,19,20)
InChIKeyVHUUYRLTKAPBHI-UHFFFAOYSA-N
MW272.27 g/mol
LogP0.63
Rot. Bonds4

About 5-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazole-4-carboxylic acid

5-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazole-4-carboxylic acid (PubChem CID 62060125) has the molecular formula C12H12N6O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is 5-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazole-4-carboxylic acid
PubChem CID62060125
Molecular FormulaC12H12N6O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name5-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)nnn1Cc1cn2cccnc2n1
InChIInChI=1S/C12H12N6O2/c1-2-9-10(11(19)20)15-16-18(9)7-8-6-17-5-3-4-13-12(17)14-8/h3-6H,2,7H2,1H3,(H,19,20)
InChIKeyVHUUYRLTKAPBHI-UHFFFAOYSA-N
XLogP0.63
TPSA98.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-methyltriazole-4-carboxylate
CID 103104973
5-ethyl-1-[(1-methyltriazol-4-yl)methyl]triazole-4-carboxylic acid
CID 107052610
2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]acetic acid
CID 107461745
ethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate
CID 23962454
3-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylic acid
CID 63137397
1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-ethyltriazole-4-carboxylic acid
CID 55031636
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426395
1-[(4-bromophenyl)methyl]-5-ethyltriazole-4-carboxylic acid
CID 53489605
5-ethyl-1-[(4-fluorophenyl)methyl]triazole-4-carboxylic acid
CID 53366340
1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-ethyltriazole-4-carboxylic acid
CID 64778276
(3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420023
5-ethyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazole-4-carboxylic acid
CID 62060911

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazole-4-carboxylic acid (CID 62060125) is 5-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazole-4-carboxylic acid is CCc1c(C(=O)O)nnn1Cc1cn2cccnc2n1.
What is the InChIKey of 5-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazole-4-carboxylic acid?
The InChIKey is VHUUYRLTKAPBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2/c1-2-9-10(11(19)20)15-16-18(9)7-8-6-17-5-3-4-13-12(17)14-8/h3-6H,2,7H2,1H3,(H,19,20).
What are the key properties of 5-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazole-4-carboxylic acid?
5-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazole-4-carboxylic acid has a molecular weight of 272.27 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazole-4-carboxylic acid is sourced from PubChem (CID 62060125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).