2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid;hydrochloride

C8H12ClN3O2 — CID 146083014

IUPAC2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCCn1cnnc1C1CC1C(=O)O.Cl
InChIInChI=1S/C8H11N3O2.ClH/c1-2-11-4-9-10-7(11)5-3-6(5)8(12)13;/h4-6H,2-3H2,1H3,(H,12,13);1H
InChIKeyHLYHEZYMWWTGBN-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.91
Rot. Bonds3

About 2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid;hydrochloride

2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 146083014) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid;hydrochloride
PubChem CID146083014
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCCn1cnnc1C1CC1C(=O)O.Cl
InChIInChI=1S/C8H11N3O2.ClH/c1-2-11-4-9-10-7(11)5-3-6(5)8(12)13;/h4-6H,2-3H2,1H3,(H,12,13);1H
InChIKeyHLYHEZYMWWTGBN-UHFFFAOYSA-N
XLogP0.91
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
CID 62694471
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-Methyl-3-(4-methyl-1,2,4-triazol-3-yl)propanoic acid
CID 82597932
3-[4-Cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]propanoic acid
CID 121340213
2-Ethyl-2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]butanoic acid
CID 55107783
2-(4-Cyclohexyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
CID 55107831
2-Ethyl-2-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanoic acid
CID 55108231
2-[(4-Cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutanoic acid
CID 55108675

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid;hydrochloride (CID 146083014) is 2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid;hydrochloride is CCn1cnnc1C1CC1C(=O)O.Cl.
What is the InChIKey of 2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is HLYHEZYMWWTGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2.ClH/c1-2-11-4-9-10-7(11)5-3-6(5)8(12)13;/h4-6H,2-3H2,1H3,(H,12,13);1H.
What are the key properties of 2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid;hydrochloride?
2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 217.66 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 146083014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).