1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid

C15H23N3O2 — CID 61362188

IUPAC1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid
SMILESCc1nnc(CC2(C(=O)O)CCCC2)n1C1CCCC1
InChIInChI=1S/C15H23N3O2/c1-11-16-17-13(18(11)12-6-2-3-7-12)10-15(14(19)20)8-4-5-9-15/h12H,2-10H2,1H3,(H,19,20)
InChIKeyMIGWRFZEIIXXMZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.89
Rot. Bonds4

About 1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid

1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 61362188) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID61362188
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid
SMILESCc1nnc(CC2(C(=O)O)CCCC2)n1C1CCCC1
InChIInChI=1S/C15H23N3O2/c1-11-16-17-13(18(11)12-6-2-3-7-12)10-15(14(19)20)8-4-5-9-15/h12H,2-10H2,1H3,(H,19,20)
InChIKeyMIGWRFZEIIXXMZ-UHFFFAOYSA-N
XLogP2.89
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.89
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-Cyclopentyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutanoic acid
CID 55107830
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]cyclopentane-1-carboxylic acid
CID 55108623
1-[(4-Propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 55108624
2-[1-[(4-Cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
CID 55108676
1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)cyclopentane-1-carboxylic acid
CID 55125890
3,3-Dimethyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butanoic acid
CID 55156534
2-[(4-Cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dimethylbutanoic acid
CID 61362189
2-[(4-Cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutanoic acid
CID 61362190
1-[(4-Cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 61362393
5-(4-Cyclopentyl-5-methyl-1,2,4-triazol-3-yl)pentanoic acid
CID 61362394

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid (CID 61362188) is 1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid is Cc1nnc(CC2(C(=O)O)CCCC2)n1C1CCCC1.
What is the InChIKey of 1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is MIGWRFZEIIXXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-16-17-13(18(11)12-6-2-3-7-12)10-15(14(19)20)8-4-5-9-15/h12H,2-10H2,1H3,(H,19,20).
What are the key properties of 1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid?
1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 277.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61362188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).