2-[5-methyl-2-(2H-triazol-4-yl)-7H-imidazo[1,2-a]imidazol-6-yl]acetic acid

C10H10N6O2 — CID 82384672

IUPAC2-[5-methyl-2-(2H-triazol-4-yl)-7H-imidazo[1,2-a]imidazol-6-yl]acetic acid
SMILESCc1c(CC(=O)O)[nH]c2nc(-c3cn[nH]n3)cn12
InChIInChI=1S/C10H10N6O2/c1-5-6(2-9(17)18)12-10-13-8(4-16(5)10)7-3-11-15-14-7/h3-4H,2H2,1H3,(H,12,13)(H,17,18)(H,11,14,15)
InChIKeyFCQIWIVTCMQBOO-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.38
Rot. Bonds3

About 2-[5-methyl-2-(2H-triazol-4-yl)-7H-imidazo[1,2-a]imidazol-6-yl]acetic acid

2-[5-methyl-2-(2H-triazol-4-yl)-7H-imidazo[1,2-a]imidazol-6-yl]acetic acid (PubChem CID 82384672) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-[5-methyl-2-(2H-triazol-4-yl)-7H-imidazo[1,2-a]imidazol-6-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methyl-2-(2H-triazol-4-yl)-7H-imidazo[1,2-a]imidazol-6-yl]acetic acid
PubChem CID82384672
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name2-[5-methyl-2-(2H-triazol-4-yl)-7H-imidazo[1,2-a]imidazol-6-yl]acetic acid
SMILESCc1c(CC(=O)O)[nH]c2nc(-c3cn[nH]n3)cn12
InChIInChI=1S/C10H10N6O2/c1-5-6(2-9(17)18)12-10-13-8(4-16(5)10)7-3-11-15-14-7/h3-4H,2H2,1H3,(H,12,13)(H,17,18)(H,11,14,15)
InChIKeyFCQIWIVTCMQBOO-UHFFFAOYSA-N
XLogP0.38
TPSA111.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[5-methyl-2-(2H-triazol-4-yl)-7H-imidazo[1,2-a]imidazol-6-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(furan-2-yl)-2-methyl-1H-imidazo[1,2-a]imidazol-3-yl]acetic acid
CID 82385288
2-amino-2-(2,3-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)acetic acid
CID 82395432
2-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)acetic acid
CID 83844831
5-(carboxymethyl)-1H-pyrazole-4-carboxylic acid
CID 82598112
4-(2H-triazol-4-yl)benzoic acid
CID 58971816
2-[3-methyl-5-(methylamino)-1H-pyrrol-2-yl]acetic acid;hydrochloride
CID 91433435
2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride
CID 67010725
2-(1,2-dimethylimidazol-4-yl)acetic acid
CID 82279387
2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82290525
2-(3,7-dimethyl-5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-6-yl)acetic acid
CID 6502031
2-[5-methyl-3-(1-methylindol-3-yl)-1H-pyrazol-4-yl]acetic acid
CID 82487890
1-[5-(2H-triazol-4-yl)-3-pyridinyl]ethanone
CID 171794490

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(2H-triazol-4-yl)-7H-imidazo[1,2-a]imidazol-6-yl]acetic acid?
The IUPAC name of 2-[5-methyl-2-(2H-triazol-4-yl)-7H-imidazo[1,2-a]imidazol-6-yl]acetic acid (CID 82384672) is 2-[5-methyl-2-(2H-triazol-4-yl)-7H-imidazo[1,2-a]imidazol-6-yl]acetic acid.
What is the SMILES notation for 2-[5-methyl-2-(2H-triazol-4-yl)-7H-imidazo[1,2-a]imidazol-6-yl]acetic acid?
The canonical SMILES for 2-[5-methyl-2-(2H-triazol-4-yl)-7H-imidazo[1,2-a]imidazol-6-yl]acetic acid is Cc1c(CC(=O)O)[nH]c2nc(-c3cn[nH]n3)cn12.
What is the InChIKey of 2-[5-methyl-2-(2H-triazol-4-yl)-7H-imidazo[1,2-a]imidazol-6-yl]acetic acid?
The InChIKey is FCQIWIVTCMQBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2/c1-5-6(2-9(17)18)12-10-13-8(4-16(5)10)7-3-11-15-14-7/h3-4H,2H2,1H3,(H,12,13)(H,17,18)(H,11,14,15).
What are the key properties of 2-[5-methyl-2-(2H-triazol-4-yl)-7H-imidazo[1,2-a]imidazol-6-yl]acetic acid?
2-[5-methyl-2-(2H-triazol-4-yl)-7H-imidazo[1,2-a]imidazol-6-yl]acetic acid has a molecular weight of 246.23 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(2H-triazol-4-yl)-7H-imidazo[1,2-a]imidazol-6-yl]acetic acid is sourced from PubChem (CID 82384672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).