5-cyclopropyl-1-(2-methylprop-2-enyl)triazole-4-carboxylic acid

C10H13N3O2 — CID 82210566

IUPAC5-cyclopropyl-1-(2-methylprop-2-enyl)triazole-4-carboxylic acid
SMILESC=C(C)Cn1nnc(C(=O)O)c1C1CC1
InChIInChI=1S/C10H13N3O2/c1-6(2)5-13-9(7-3-4-7)8(10(14)15)11-12-13/h7H,1,3-5H2,2H3,(H,14,15)
InChIKeyPVDINECYUXYHIL-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.43
Rot. Bonds4

About 5-cyclopropyl-1-(2-methylprop-2-enyl)triazole-4-carboxylic acid

5-cyclopropyl-1-(2-methylprop-2-enyl)triazole-4-carboxylic acid (PubChem CID 82210566) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-methylprop-2-enyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-methylprop-2-enyl)triazole-4-carboxylic acid
PubChem CID82210566
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name5-cyclopropyl-1-(2-methylprop-2-enyl)triazole-4-carboxylic acid
SMILESC=C(C)Cn1nnc(C(=O)O)c1C1CC1
InChIInChI=1S/C10H13N3O2/c1-6(2)5-13-9(7-3-4-7)8(10(14)15)11-12-13/h7H,1,3-5H2,2H3,(H,14,15)
InChIKeyPVDINECYUXYHIL-UHFFFAOYSA-N
XLogP1.43
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-cyclopropyl-1-(2-methylprop-2-enyl)triazole-4-carboxylic 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

1-(2-amino-2-oxoethyl)-5-cyclopropyltriazole-4-carboxylic acid
CID 62053741
5-cyclopropyl-1-ethyltriazole-4-carboxylic acid
CID 62055602
5-cyclopropyl-1-(4-methylpentyl)triazole-4-carboxylic acid
CID 83161633
5-cyclopropyl-1-[2-(2,6-dimethylanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 94935426
5-cyclopropyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 63099079
5-cyclopentyl-1-(2-hydroxypropyl)triazole-4-carboxylic acid
CID 165475519
5-cyclopropyl-1-[3-(ethylamino)-3-oxopropyl]triazole-4-carboxylic acid
CID 62326659
5-cyclobutyl-1-[2-(cyclopentylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 82202469
1,5-dicyclopropyltriazole-4-carboxylic acid
CID 105446875
1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazole-4-carboxylic acid
CID 62055610
5-cyclopropyl-1-[2-(3-methylanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 82194598
1-[2-[butyl(methyl)amino]-2-oxoethyl]-5-cyclobutyltriazole-4-carboxylic acid
CID 82202464

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2-methylprop-2-enyl)triazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-(2-methylprop-2-enyl)triazole-4-carboxylic acid (CID 82210566) is 5-cyclopropyl-1-(2-methylprop-2-enyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-(2-methylprop-2-enyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-(2-methylprop-2-enyl)triazole-4-carboxylic acid is C=C(C)Cn1nnc(C(=O)O)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(2-methylprop-2-enyl)triazole-4-carboxylic acid?
The InChIKey is PVDINECYUXYHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6(2)5-13-9(7-3-4-7)8(10(14)15)11-12-13/h7H,1,3-5H2,2H3,(H,14,15).
What are the key properties of 5-cyclopropyl-1-(2-methylprop-2-enyl)triazole-4-carboxylic acid?
5-cyclopropyl-1-(2-methylprop-2-enyl)triazole-4-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2-methylprop-2-enyl)triazole-4-carboxylic acid is sourced from PubChem (CID 82210566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).