2-(4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid

C9H13N3O2 — CID 62692398

IUPAC2-(4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
SMILESCCCn1cnnc1C1CC1C(=O)O
InChIInChI=1S/C9H13N3O2/c1-2-3-12-5-10-11-8(12)6-4-7(6)9(13)14/h5-7H,2-4H2,1H3,(H,13,14)
InChIKeyNBGIYLPVLUDENR-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.88
Rot. Bonds4

About 2-(4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid

2-(4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 62692398) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
PubChem CID62692398
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
SMILESCCCn1cnnc1C1CC1C(=O)O
InChIInChI=1S/C9H13N3O2/c1-2-3-12-5-10-11-8(12)6-4-7(6)9(13)14/h5-7H,2-4H2,1H3,(H,13,14)
InChIKeyNBGIYLPVLUDENR-UHFFFAOYSA-N
XLogP0.88
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridine-6-carboxylic acid
CID 25219067
4-(dimethyl-4H-1,2,4-triazol-3-yl)butanoic acid
CID 50988979
4-(4-Methyl-4h-1,2,4-triazol-3-yl)butanoic acid
CID 62692605
rac-(1R,2S)-2-(1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
CID 93832263
5H,6H,7H,8H,9H-(1,2,4)triazolo(4,3-a)azepine-7-carboxylic acid hydrochloride
CID 126815796
2-(4-ethyl-4H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid hydrochloride
CID 146083014
2-(4-ethyl-4H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
CID 62694471
rac-(1R,2R)-2-(1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
CID 93832262
5H,6H,7H,8H,9H-[1,2,4]Triazolo[4,3-a]azepine-7-carboxylic acid
CID 126815797
4-(3-(3,3-Difluorocyclobutyl)-4H-1,2,4-triazol-4-yl)butanoic acid
CID 168026473
2-(1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
CID 61361019
5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82413920

Frequently Asked Questions

What is the IUPAC name of 2-(4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid (CID 62692398) is 2-(4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid is CCCn1cnnc1C1CC1C(=O)O.
What is the InChIKey of 2-(4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is NBGIYLPVLUDENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-3-12-5-10-11-8(12)6-4-7(6)9(13)14/h5-7H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-(4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid?
2-(4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62692398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).