2-(5-amino-1-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid

C9H14N4O2 — CID 104605775

IUPAC2-(5-amino-1-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
SMILESCn1nc(C2CCCC2C(=O)O)nc1N
InChIInChI=1S/C9H14N4O2/c1-13-9(10)11-7(12-13)5-3-2-4-6(5)8(14)15/h5-6H,2-4H2,1H3,(H,14,15)(H2,10,11,12)
InChIKeyOPDRCNGOOBTCTQ-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.37
Rot. Bonds2

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

2-(5-amino-1-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid (PubChem CID 104605775) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-(5-amino-1-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-amino-1-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
PubChem CID104605775
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-(5-amino-1-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
SMILESCn1nc(C2CCCC2C(=O)O)nc1N
InChIInChI=1S/C9H14N4O2/c1-13-9(10)11-7(12-13)5-3-2-4-6(5)8(14)15/h5-6H,2-4H2,1H3,(H,14,15)(H2,10,11,12)
InChIKeyOPDRCNGOOBTCTQ-UHFFFAOYSA-N
XLogP0.37
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-1-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxylic acid
CID 131097861
2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
CID 62720546
2-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid
CID 103980129
2-(2-methylpyrazol-3-yl)cycloheptane-1-carboxylic acid
CID 81020533
2-(1,2-thiazol-3-yl)cyclopentane-1-carboxylic acid
CID 130898178
2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine
CID 104915236
2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid
CID 103980132
5-(4-amino-2,2,3-trimethylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine
CID 102631002
2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxylic acid
CID 61347315
2,3-bis(2H-triazol-4-yl)cyclohexane-1-carboxylic acid
CID 118271261
(1S,6R)-6-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic acid
CID 104963303
5-(4-tert-butylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine
CID 104605414

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(5-amino-1-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid (CID 104605775) is 2-(5-amino-1-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(5-amino-1-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(5-amino-1-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid is Cn1nc(C2CCCC2C(=O)O)nc1N.
What is the InChIKey of 2-(5-amino-1-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid?
The InChIKey is OPDRCNGOOBTCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-13-9(10)11-7(12-13)5-3-2-4-6(5)8(14)15/h5-6H,2-4H2,1H3,(H,14,15)(H2,10,11,12).
What are the key properties of 2-(5-amino-1-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid?
2-(5-amino-1-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid has a molecular weight of 210.24 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 104605775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).