1-(5-cycloheptyl-3-methyl-1,2,4-triazol-1-yl)butan-2-ol

C14H25N3O — CID 72902010

IUPAC1-(5-cycloheptyl-3-methyl-1,2,4-triazol-1-yl)butan-2-ol
SMILESCCC(O)Cn1nc(C)nc1C1CCCCCC1
InChIInChI=1S/C14H25N3O/c1-3-13(18)10-17-14(15-11(2)16-17)12-8-6-4-5-7-9-12/h12-13,18H,3-10H2,1-2H3
InChIKeyDLFHNOIQOPNRJB-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.80
Rot. Bonds4

About 1-(5-cycloheptyl-3-methyl-1,2,4-triazol-1-yl)butan-2-ol

1-(5-cycloheptyl-3-methyl-1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 72902010) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(5-cycloheptyl-3-methyl-1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-(5-cycloheptyl-3-methyl-1,2,4-triazol-1-yl)butan-2-ol
PubChem CID72902010
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(5-cycloheptyl-3-methyl-1,2,4-triazol-1-yl)butan-2-ol
SMILESCCC(O)Cn1nc(C)nc1C1CCCCCC1
InChIInChI=1S/C14H25N3O/c1-3-13(18)10-17-14(15-11(2)16-17)12-8-6-4-5-7-9-12/h12-13,18H,3-10H2,1-2H3
InChIKeyDLFHNOIQOPNRJB-UHFFFAOYSA-N
XLogP2.80
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-cycloheptyl-3-methyl-1,2,4-triazol-1-yl)butan-2-ol 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 1-(5-cycloheptyl-3-methyl-1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of 1-(5-cycloheptyl-3-methyl-1,2,4-triazol-1-yl)butan-2-ol (CID 72902010) is 1-(5-cycloheptyl-3-methyl-1,2,4-triazol-1-yl)butan-2-ol.
What is the SMILES notation for 1-(5-cycloheptyl-3-methyl-1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for 1-(5-cycloheptyl-3-methyl-1,2,4-triazol-1-yl)butan-2-ol is CCC(O)Cn1nc(C)nc1C1CCCCCC1.
What is the InChIKey of 1-(5-cycloheptyl-3-methyl-1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is DLFHNOIQOPNRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-13(18)10-17-14(15-11(2)16-17)12-8-6-4-5-7-9-12/h12-13,18H,3-10H2,1-2H3.
What are the key properties of 1-(5-cycloheptyl-3-methyl-1,2,4-triazol-1-yl)butan-2-ol?
1-(5-cycloheptyl-3-methyl-1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cycloheptyl-3-methyl-1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 72902010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).