1-[4-[[methyl(3-phenylpropyl)amino]methyl]triazol-1-yl]hexan-2-ol

C19H30N4O — CID 46863381

IUPAC1-[4-[[methyl(3-phenylpropyl)amino]methyl]triazol-1-yl]hexan-2-ol
SMILESCCCCC(O)Cn1cc(CN(C)CCCc2ccccc2)nn1
InChIInChI=1S/C19H30N4O/c1-3-4-12-19(24)16-23-15-18(20-21-23)14-22(2)13-8-11-17-9-6-5-7-10-17/h5-7,9-10,15,19,24H,3-4,8,11-14,16H2,1-2H3
InChIKeyCUORMHVNHBNLFI-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.89
Rot. Bonds11

About 1-[4-[[methyl(3-phenylpropyl)amino]methyl]triazol-1-yl]hexan-2-ol

1-[4-[[methyl(3-phenylpropyl)amino]methyl]triazol-1-yl]hexan-2-ol (PubChem CID 46863381) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-[4-[[methyl(3-phenylpropyl)amino]methyl]triazol-1-yl]hexan-2-ol.

Molecular Properties

Compound Name1-[4-[[methyl(3-phenylpropyl)amino]methyl]triazol-1-yl]hexan-2-ol
PubChem CID46863381
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name1-[4-[[methyl(3-phenylpropyl)amino]methyl]triazol-1-yl]hexan-2-ol
SMILESCCCCC(O)Cn1cc(CN(C)CCCc2ccccc2)nn1
InChIInChI=1S/C19H30N4O/c1-3-4-12-19(24)16-23-15-18(20-21-23)14-22(2)13-8-11-17-9-6-5-7-10-17/h5-7,9-10,15,19,24H,3-4,8,11-14,16H2,1-2H3
InChIKeyCUORMHVNHBNLFI-UHFFFAOYSA-N
XLogP2.89
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[methyl(3-phenylpropyl)amino]methyl]triazol-1-yl]hexan-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

Related Compounds

(1-benzyl-1H-1,2,3-triazol-4-yl)methanol
CID 11651290
1-(1-benzyl-1H-1,2,3-triazol-4-yl)ethan-1-ol
CID 71671583
1-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
CID 75176207
(3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-phenylpiperidin-3-ol
CID 46902507
1-[2-[4-(4-Octyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol
CID 72736217
1-Azolyl-4-phenyl-2-butanone, 59
CID 44604577
2-[2-[4-[[Benzyl-[[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethoxy]ethanol
CID 155531672
(3R,4R,6R)-4-(4-cyclopropyltriazol-1-yl)-1-hexyl-6-phenylpiperidin-3-ol
CID 46902504
(3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-(4-methylphenyl)piperidin-3-ol
CID 46902516
(3S,4S,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-1-hexyl-6-phenylpiperidin-3-ol
CID 46902571
(3S,4S,6R)-4-(4-cyclopropyltriazol-1-yl)-1-hexyl-6-phenylpiperidin-3-ol
CID 46902572
(3S,4S,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-phenylpiperidin-3-ol
CID 46902575

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[methyl(3-phenylpropyl)amino]methyl]triazol-1-yl]hexan-2-ol?
The IUPAC name of 1-[4-[[methyl(3-phenylpropyl)amino]methyl]triazol-1-yl]hexan-2-ol (CID 46863381) is 1-[4-[[methyl(3-phenylpropyl)amino]methyl]triazol-1-yl]hexan-2-ol.
What is the SMILES notation for 1-[4-[[methyl(3-phenylpropyl)amino]methyl]triazol-1-yl]hexan-2-ol?
The canonical SMILES for 1-[4-[[methyl(3-phenylpropyl)amino]methyl]triazol-1-yl]hexan-2-ol is CCCCC(O)Cn1cc(CN(C)CCCc2ccccc2)nn1.
What is the InChIKey of 1-[4-[[methyl(3-phenylpropyl)amino]methyl]triazol-1-yl]hexan-2-ol?
The InChIKey is CUORMHVNHBNLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-3-4-12-19(24)16-23-15-18(20-21-23)14-22(2)13-8-11-17-9-6-5-7-10-17/h5-7,9-10,15,19,24H,3-4,8,11-14,16H2,1-2H3.
What are the key properties of 1-[4-[[methyl(3-phenylpropyl)amino]methyl]triazol-1-yl]hexan-2-ol?
1-[4-[[methyl(3-phenylpropyl)amino]methyl]triazol-1-yl]hexan-2-ol has a molecular weight of 330.48 g/mol, XLogP of 2.89, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[methyl(3-phenylpropyl)amino]methyl]triazol-1-yl]hexan-2-ol is sourced from PubChem (CID 46863381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).