2-[1-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid

C15H25N3O2 — CID 62720352

IUPAC2-[1-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid
SMILESCC(C)c1nc(CC2(CC(=O)O)CCCCC2)n(C)n1
InChIInChI=1S/C15H25N3O2/c1-11(2)14-16-12(18(3)17-14)9-15(10-13(19)20)7-5-4-6-8-15/h11H,4-10H2,1-3H3,(H,19,20)
InChIKeyPMOCZLBYVBOCMW-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.91
Rot. Bonds5

About 2-[1-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid

2-[1-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid (PubChem CID 62720352) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[1-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid
PubChem CID62720352
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[1-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid
SMILESCC(C)c1nc(CC2(CC(=O)O)CCCCC2)n(C)n1
InChIInChI=1S/C15H25N3O2/c1-11(2)14-16-12(18(3)17-14)9-15(10-13(19)20)7-5-4-6-8-15/h11H,4-10H2,1-3H3,(H,19,20)
InChIKeyPMOCZLBYVBOCMW-UHFFFAOYSA-N
XLogP2.91
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid (CID 62720352) is 2-[1-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid is CC(C)c1nc(CC2(CC(=O)O)CCCCC2)n(C)n1.
What is the InChIKey of 2-[1-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid?
The InChIKey is PMOCZLBYVBOCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)14-16-12(18(3)17-14)9-15(10-13(19)20)7-5-4-6-8-15/h11H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[1-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid?
2-[1-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid has a molecular weight of 279.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 62720352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).