6-[(5-phenyl-2H-triazol-4-yl)methylamino]hexan-1-ol

C15H22N4O — CID 107848714

IUPAC6-[(5-phenyl-2H-triazol-4-yl)methylamino]hexan-1-ol
SMILESOCCCCCCNCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C15H22N4O/c20-11-7-2-1-6-10-16-12-14-15(18-19-17-14)13-8-4-3-5-9-13/h3-5,8-9,16,20H,1-2,6-7,10-12H2,(H,17,18,19)
InChIKeyHKFJDYBTPFJMPU-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.11
Rot. Bonds9

About 6-[(5-phenyl-2H-triazol-4-yl)methylamino]hexan-1-ol

6-[(5-phenyl-2H-triazol-4-yl)methylamino]hexan-1-ol (PubChem CID 107848714) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-[(5-phenyl-2H-triazol-4-yl)methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[(5-phenyl-2H-triazol-4-yl)methylamino]hexan-1-ol
PubChem CID107848714
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name6-[(5-phenyl-2H-triazol-4-yl)methylamino]hexan-1-ol
SMILESOCCCCCCNCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C15H22N4O/c20-11-7-2-1-6-10-16-12-14-15(18-19-17-14)13-8-4-3-5-9-13/h3-5,8-9,16,20H,1-2,6-7,10-12H2,(H,17,18,19)
InChIKeyHKFJDYBTPFJMPU-UHFFFAOYSA-N
XLogP2.11
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[(5-phenyl-2H-triazol-4-yl)methylamino]hexan-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

N',N'-diethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]propane-1,3-diamine
CID 63643476
(2S)-2-[(5-phenyl-2H-triazol-4-yl)methylamino]butan-1-ol
CID 98571652
5-[4-(benzylamino)butylamino]pentan-1-ol
CID 22006369
1-(4-methylphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
CID 63641898
5-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]pentan-1-ol
CID 124787682
4-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124787438
N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 63643321
5-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]pentan-1-ol
CID 124800402
4-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124787503
N'-cyclopropyl-N'-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]ethane-1,2-diamine
CID 103726688
N-cyclopropyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]acetamide
CID 63641722
2-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]hexan-1-amine
CID 63642785

Frequently Asked Questions

What is the IUPAC name of 6-[(5-phenyl-2H-triazol-4-yl)methylamino]hexan-1-ol?
The IUPAC name of 6-[(5-phenyl-2H-triazol-4-yl)methylamino]hexan-1-ol (CID 107848714) is 6-[(5-phenyl-2H-triazol-4-yl)methylamino]hexan-1-ol.
What is the SMILES notation for 6-[(5-phenyl-2H-triazol-4-yl)methylamino]hexan-1-ol?
The canonical SMILES for 6-[(5-phenyl-2H-triazol-4-yl)methylamino]hexan-1-ol is OCCCCCCNCc1n[nH]nc1-c1ccccc1.
What is the InChIKey of 6-[(5-phenyl-2H-triazol-4-yl)methylamino]hexan-1-ol?
The InChIKey is HKFJDYBTPFJMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c20-11-7-2-1-6-10-16-12-14-15(18-19-17-14)13-8-4-3-5-9-13/h3-5,8-9,16,20H,1-2,6-7,10-12H2,(H,17,18,19).
What are the key properties of 6-[(5-phenyl-2H-triazol-4-yl)methylamino]hexan-1-ol?
6-[(5-phenyl-2H-triazol-4-yl)methylamino]hexan-1-ol has a molecular weight of 274.37 g/mol, XLogP of 2.11, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-phenyl-2H-triazol-4-yl)methylamino]hexan-1-ol is sourced from PubChem (CID 107848714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).