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

C15H23N3O2 — CID 61375893

IUPAC2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid
SMILESCc1nnc(CC2(CC(=O)O)CCCCC2)n1C1CC1
InChIInChI=1S/C15H23N3O2/c1-11-16-17-13(18(11)12-5-6-12)9-15(10-14(19)20)7-3-2-4-8-15/h12H,2-10H2,1H3,(H,19,20)
InChIKeyGLQNHRJCHZSBLW-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.89
Rot. Bonds5

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

2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid (PubChem CID 61375893) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid
PubChem CID61375893
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid
SMILESCc1nnc(CC2(CC(=O)O)CCCCC2)n1C1CC1
InChIInChI=1S/C15H23N3O2/c1-11-16-17-13(18(11)12-5-6-12)9-15(10-14(19)20)7-3-2-4-8-15/h12H,2-10H2,1H3,(H,19,20)
InChIKeyGLQNHRJCHZSBLW-UHFFFAOYSA-N
XLogP2.89
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid (CID 61375893) is 2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid is Cc1nnc(CC2(CC(=O)O)CCCCC2)n1C1CC1.
What is the InChIKey of 2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid?
The InChIKey is GLQNHRJCHZSBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-16-17-13(18(11)12-5-6-12)9-15(10-14(19)20)7-3-2-4-8-15/h12H,2-10H2,1H3,(H,19,20).
What are the key properties of 2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid?
2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid has a molecular weight of 277.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 61375893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).