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

C11H18N4O2 — CID 114392985

IUPAC4-methyl-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]cyclopentane-1-carboxylic acid
SMILESCNc1nnc(C2CC(C)CC2C(=O)O)n1C
InChIInChI=1S/C11H18N4O2/c1-6-4-7(8(5-6)10(16)17)9-13-14-11(12-2)15(9)3/h6-8H,4-5H2,1-3H3,(H,12,14)(H,16,17)
InChIKeyDCXBJFYWEXNORY-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.07
Rot. Bonds3

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

4-methyl-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]cyclopentane-1-carboxylic acid (PubChem CID 114392985) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-methyl-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]cyclopentane-1-carboxylic acid
PubChem CID114392985
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-methyl-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]cyclopentane-1-carboxylic acid
SMILESCNc1nnc(C2CC(C)CC2C(=O)O)n1C
InChIInChI=1S/C11H18N4O2/c1-6-4-7(8(5-6)10(16)17)9-13-14-11(12-2)15(9)3/h6-8H,4-5H2,1-3H3,(H,12,14)(H,16,17)
InChIKeyDCXBJFYWEXNORY-UHFFFAOYSA-N
XLogP1.07
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]cyclohex-3-ene-1-carboxylic acid
CID 112597619
4-methyl-2-(2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
CID 114392958
N,4-dimethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-amine
CID 112596248
2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methylcyclopentane-1-carboxylic acid
CID 114392968
(5S)-5-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol
CID 104911717
2-(4-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid
CID 114391714
2-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid
CID 114391706
5-(7-bicyclo[4.1.0]heptanyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596396
5-[2-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597244
N,4-dimethyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-triazol-3-amine
CID 102783762
N,4-dimethyl-5-(3-methyloxolan-2-yl)-1,2,4-triazol-3-amine
CID 112596403
5-(4,4-difluorocyclohexyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596424

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]cyclopentane-1-carboxylic acid (CID 114392985) is 4-methyl-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]cyclopentane-1-carboxylic acid is CNc1nnc(C2CC(C)CC2C(=O)O)n1C.
What is the InChIKey of 4-methyl-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]cyclopentane-1-carboxylic acid?
The InChIKey is DCXBJFYWEXNORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-6-4-7(8(5-6)10(16)17)9-13-14-11(12-2)15(9)3/h6-8H,4-5H2,1-3H3,(H,12,14)(H,16,17).
What are the key properties of 4-methyl-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]cyclopentane-1-carboxylic acid?
4-methyl-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]cyclopentane-1-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114392985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).