[5-(3,5-dimethoxyphenyl)-1-pentyltriazol-4-yl]methanamine

C16H24N4O2 — CID 82205848

IUPAC[5-(3,5-dimethoxyphenyl)-1-pentyltriazol-4-yl]methanamine
SMILESCCCCCn1nnc(CN)c1-c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H24N4O2/c1-4-5-6-7-20-16(15(11-17)18-19-20)12-8-13(21-2)10-14(9-12)22-3/h8-10H,4-7,11,17H2,1-3H3
InChIKeyBVSXWBWECSYYQO-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.61
Rot. Bonds8

About [5-(3,5-dimethoxyphenyl)-1-pentyltriazol-4-yl]methanamine

[5-(3,5-dimethoxyphenyl)-1-pentyltriazol-4-yl]methanamine (PubChem CID 82205848) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is [5-(3,5-dimethoxyphenyl)-1-pentyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3,5-dimethoxyphenyl)-1-pentyltriazol-4-yl]methanamine
PubChem CID82205848
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name[5-(3,5-dimethoxyphenyl)-1-pentyltriazol-4-yl]methanamine
SMILESCCCCCn1nnc(CN)c1-c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H24N4O2/c1-4-5-6-7-20-16(15(11-17)18-19-20)12-8-13(21-2)10-14(9-12)22-3/h8-10H,4-7,11,17H2,1-3H3
InChIKeyBVSXWBWECSYYQO-UHFFFAOYSA-N
XLogP2.61
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine
CID 82205137
(1-octyl-5-phenyltriazol-4-yl)methanamine
CID 126566340
[1-hexyl-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82206097
[1-heptyl-5-(2-methoxyphenyl)triazol-4-yl]methanamine
CID 82208122
[5-(3,4-dimethoxyphenyl)-1-propyltriazol-4-yl]methanamine
CID 82205143
[1-pentyl-5-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanamine
CID 94944037
[5-[(4-methoxyphenyl)methyl]-1-pentyltriazol-4-yl]methanamine
CID 82205856
2-[4-(aminomethyl)-5-(3,4,5-trimethoxyphenyl)triazol-1-yl]ethanol
CID 94945382
[5-(3,4-dimethylphenyl)-1-heptyltriazol-4-yl]methanol
CID 82208060
[5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine
CID 82207885
[5-(4-methylphenyl)-1-pentyltriazol-4-yl]methanol
CID 82205678
[1-heptyl-5-(3-methylphenyl)triazol-4-yl]methanol
CID 82208036

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dimethoxyphenyl)-1-pentyltriazol-4-yl]methanamine?
The IUPAC name of [5-(3,5-dimethoxyphenyl)-1-pentyltriazol-4-yl]methanamine (CID 82205848) is [5-(3,5-dimethoxyphenyl)-1-pentyltriazol-4-yl]methanamine.
What is the SMILES notation for [5-(3,5-dimethoxyphenyl)-1-pentyltriazol-4-yl]methanamine?
The canonical SMILES for [5-(3,5-dimethoxyphenyl)-1-pentyltriazol-4-yl]methanamine is CCCCCn1nnc(CN)c1-c1cc(OC)cc(OC)c1.
What is the InChIKey of [5-(3,5-dimethoxyphenyl)-1-pentyltriazol-4-yl]methanamine?
The InChIKey is BVSXWBWECSYYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-4-5-6-7-20-16(15(11-17)18-19-20)12-8-13(21-2)10-14(9-12)22-3/h8-10H,4-7,11,17H2,1-3H3.
What are the key properties of [5-(3,5-dimethoxyphenyl)-1-pentyltriazol-4-yl]methanamine?
[5-(3,5-dimethoxyphenyl)-1-pentyltriazol-4-yl]methanamine has a molecular weight of 304.39 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dimethoxyphenyl)-1-pentyltriazol-4-yl]methanamine is sourced from PubChem (CID 82205848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).