[5-[(4-methoxyphenyl)methyl]-1-pentyltriazol-4-yl]methanamine

C16H24N4O — CID 82205856

IUPAC[5-[(4-methoxyphenyl)methyl]-1-pentyltriazol-4-yl]methanamine
SMILESCCCCCn1nnc(CN)c1Cc1ccc(OC)cc1
InChIInChI=1S/C16H24N4O/c1-3-4-5-10-20-16(15(12-17)18-19-20)11-13-6-8-14(21-2)9-7-13/h6-9H,3-5,10-12,17H2,1-2H3
InChIKeyOYKDCAYZAQCCCW-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.53
Rot. Bonds8

About [5-[(4-methoxyphenyl)methyl]-1-pentyltriazol-4-yl]methanamine

[5-[(4-methoxyphenyl)methyl]-1-pentyltriazol-4-yl]methanamine (PubChem CID 82205856) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is [5-[(4-methoxyphenyl)methyl]-1-pentyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-methoxyphenyl)methyl]-1-pentyltriazol-4-yl]methanamine
PubChem CID82205856
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name[5-[(4-methoxyphenyl)methyl]-1-pentyltriazol-4-yl]methanamine
SMILESCCCCCn1nnc(CN)c1Cc1ccc(OC)cc1
InChIInChI=1S/C16H24N4O/c1-3-4-5-10-20-16(15(12-17)18-19-20)11-13-6-8-14(21-2)9-7-13/h6-9H,3-5,10-12,17H2,1-2H3
InChIKeyOYKDCAYZAQCCCW-UHFFFAOYSA-N
XLogP2.53
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(aminomethyl)-5-[(4-methoxyphenyl)methyl]triazol-1-yl]acetonitrile
CID 82206661
[5-[(4-fluorophenyl)methyl]-1-pentyltriazol-4-yl]methanol
CID 82205720
(5-butyl-1-pentyltriazol-4-yl)methanamine
CID 82205828
[5-(3,5-dimethoxyphenyl)-1-pentyltriazol-4-yl]methanamine
CID 82205848
[5-[(4-methoxyphenyl)methyl]-1-(3-methylbutyl)triazol-4-yl]methanol
CID 82208301
[5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine
CID 82196254
5-[(4-methoxyphenyl)methyl]-1-propyltriazole-4-carbonitrile
CID 82204993
(5-benzyl-1-butyltriazol-4-yl)methanol
CID 82205364
[5-[(2,6-dimethylphenoxy)methyl]-1-pentyltriazol-4-yl]methanamine
CID 82205870
5-[(4-ethoxyphenyl)methyl]-1-pentyltriazole-4-carbaldehyde
CID 82205731
(1-butyl-5-propyltriazol-4-yl)methanamine
CID 82205490
1-(3-carboxypropyl)-5-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid
CID 94946448

Frequently Asked Questions

What is the IUPAC name of [5-[(4-methoxyphenyl)methyl]-1-pentyltriazol-4-yl]methanamine?
The IUPAC name of [5-[(4-methoxyphenyl)methyl]-1-pentyltriazol-4-yl]methanamine (CID 82205856) is [5-[(4-methoxyphenyl)methyl]-1-pentyltriazol-4-yl]methanamine.
What is the SMILES notation for [5-[(4-methoxyphenyl)methyl]-1-pentyltriazol-4-yl]methanamine?
The canonical SMILES for [5-[(4-methoxyphenyl)methyl]-1-pentyltriazol-4-yl]methanamine is CCCCCn1nnc(CN)c1Cc1ccc(OC)cc1.
What is the InChIKey of [5-[(4-methoxyphenyl)methyl]-1-pentyltriazol-4-yl]methanamine?
The InChIKey is OYKDCAYZAQCCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-4-5-10-20-16(15(12-17)18-19-20)11-13-6-8-14(21-2)9-7-13/h6-9H,3-5,10-12,17H2,1-2H3.
What are the key properties of [5-[(4-methoxyphenyl)methyl]-1-pentyltriazol-4-yl]methanamine?
[5-[(4-methoxyphenyl)methyl]-1-pentyltriazol-4-yl]methanamine has a molecular weight of 288.39 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methoxyphenyl)methyl]-1-pentyltriazol-4-yl]methanamine is sourced from PubChem (CID 82205856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).