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

C14H21N3O2 — CID 62697011

IUPAC2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(Cc2nncn2C2CC2)CCCCC1
InChIInChI=1S/C14H21N3O2/c18-13(19)9-14(6-2-1-3-7-14)8-12-16-15-10-17(12)11-4-5-11/h10-11H,1-9H2,(H,18,19)
InChIKeyVEFWARSBLFOQOY-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.58
Rot. Bonds5

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

2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid (PubChem CID 62697011) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid
PubChem CID62697011
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(Cc2nncn2C2CC2)CCCCC1
InChIInChI=1S/C14H21N3O2/c18-13(19)9-14(6-2-1-3-7-14)8-12-16-15-10-17(12)11-4-5-11/h10-11H,1-9H2,(H,18,19)
InChIKeyVEFWARSBLFOQOY-UHFFFAOYSA-N
XLogP2.58
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.58
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-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid (CID 62697011) is 2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid is O=C(O)CC1(Cc2nncn2C2CC2)CCCCC1.
What is the InChIKey of 2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid?
The InChIKey is VEFWARSBLFOQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-13(19)9-14(6-2-1-3-7-14)8-12-16-15-10-17(12)11-4-5-11/h10-11H,1-9H2,(H,18,19).
What are the key properties of 2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid?
2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.58, 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-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 62697011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).