1-[(1-methyltriazol-4-yl)methyl]-4-propylcycloheptan-1-ol

C14H25N3O — CID 107046101

IUPAC1-[(1-methyltriazol-4-yl)methyl]-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(Cc2cn(C)nn2)CC1
InChIInChI=1S/C14H25N3O/c1-3-5-12-6-4-8-14(18,9-7-12)10-13-11-17(2)16-15-13/h11-12,18H,3-10H2,1-2H3
InChIKeyYGUZMTHDPFDSCM-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.47
Rot. Bonds4

About 1-[(1-methyltriazol-4-yl)methyl]-4-propylcycloheptan-1-ol

1-[(1-methyltriazol-4-yl)methyl]-4-propylcycloheptan-1-ol (PubChem CID 107046101) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[(1-methyltriazol-4-yl)methyl]-4-propylcycloheptan-1-ol.

Molecular Properties

Compound Name1-[(1-methyltriazol-4-yl)methyl]-4-propylcycloheptan-1-ol
PubChem CID107046101
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[(1-methyltriazol-4-yl)methyl]-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(Cc2cn(C)nn2)CC1
InChIInChI=1S/C14H25N3O/c1-3-5-12-6-4-8-14(18,9-7-12)10-13-11-17(2)16-15-13/h11-12,18H,3-10H2,1-2H3
InChIKeyYGUZMTHDPFDSCM-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1-methyltriazol-4-yl)methyl]-4-propylcycloheptan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-ol
CID 107045687
1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol
CID 107045659
4-[(1-methyltriazol-4-yl)methyl]oxan-4-ol
CID 107045763
1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65151513
4-ethyl-1-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-ol
CID 82869439
1-[(2-methylphenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090602
1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090405
4-cyclohexyl-1-(1-methyltriazol-4-yl)butan-2-one
CID 107063124
1-(1-methylpyrazol-4-yl)-4-propylcycloheptan-1-amine
CID 65086253
2,4-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol
CID 107046074
1-[(4-bromo-2-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65151861
4-propyl-1-prop-2-ynylcycloheptan-1-ol
CID 65090248

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyltriazol-4-yl)methyl]-4-propylcycloheptan-1-ol?
The IUPAC name of 1-[(1-methyltriazol-4-yl)methyl]-4-propylcycloheptan-1-ol (CID 107046101) is 1-[(1-methyltriazol-4-yl)methyl]-4-propylcycloheptan-1-ol.
What is the SMILES notation for 1-[(1-methyltriazol-4-yl)methyl]-4-propylcycloheptan-1-ol?
The canonical SMILES for 1-[(1-methyltriazol-4-yl)methyl]-4-propylcycloheptan-1-ol is CCCC1CCCC(O)(Cc2cn(C)nn2)CC1.
What is the InChIKey of 1-[(1-methyltriazol-4-yl)methyl]-4-propylcycloheptan-1-ol?
The InChIKey is YGUZMTHDPFDSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-5-12-6-4-8-14(18,9-7-12)10-13-11-17(2)16-15-13/h11-12,18H,3-10H2,1-2H3.
What are the key properties of 1-[(1-methyltriazol-4-yl)methyl]-4-propylcycloheptan-1-ol?
1-[(1-methyltriazol-4-yl)methyl]-4-propylcycloheptan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyltriazol-4-yl)methyl]-4-propylcycloheptan-1-ol is sourced from PubChem (CID 107046101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).