1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid

C12H19N3O2 — CID 55108623

IUPAC1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)n1cnnc1CC1(C(=O)O)CCCC1
InChIInChI=1S/C12H19N3O2/c1-9(2)15-8-13-14-10(15)7-12(11(16)17)5-3-4-6-12/h8-9H,3-7H2,1-2H3,(H,16,17)
InChIKeyLZSROKIDTZDHHV-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.05
Rot. Bonds4

About 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid

1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 55108623) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID55108623
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)n1cnnc1CC1(C(=O)O)CCCC1
InChIInChI=1S/C12H19N3O2/c1-9(2)15-8-13-14-10(15)7-12(11(16)17)5-3-4-6-12/h8-9H,3-7H2,1-2H3,(H,16,17)
InChIKeyLZSROKIDTZDHHV-UHFFFAOYSA-N
XLogP2.05
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Ethyl-3-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 89903923
2-[4-(3-Methyl-1,2,4-triazol-4-yl)cyclohexyl]acetic acid
CID 121439133
2-[4-(2-Methylpropyl)-1,2,4-triazol-3-yl]cyclohexane-1-carboxylic acid
CID 55107782
2-Ethyl-2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]butanoic acid
CID 55107783
2-(4-Cyclopentyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
CID 55107784
2-[(4-Cyclopentyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutanoic acid
CID 55107830
2-[1-[(2-Ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
CID 55108042
2-[1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid
CID 55108085
2-(4-Propyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
CID 55108230
2-Ethyl-2-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanoic acid
CID 55108231
2-[1-[(4-Propyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
CID 55108277
1-[(4-Propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 55108624

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid (CID 55108623) is 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid is CC(C)n1cnnc1CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is LZSROKIDTZDHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(2)15-8-13-14-10(15)7-12(11(16)17)5-3-4-6-12/h8-9H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid?
1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 55108623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).