[5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine

C13H18N4O — CID 82205137

IUPAC[5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine
SMILESCCCn1nnc(CN)c1-c1cccc(OC)c1
InChIInChI=1S/C13H18N4O/c1-3-7-17-13(12(9-14)15-16-17)10-5-4-6-11(8-10)18-2/h4-6,8H,3,7,9,14H2,1-2H3
InChIKeyIGAAWUMLNCVZHN-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.82
Rot. Bonds5

About [5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine

[5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine (PubChem CID 82205137) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine
PubChem CID82205137
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name[5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine
SMILESCCCn1nnc(CN)c1-c1cccc(OC)c1
InChIInChI=1S/C13H18N4O/c1-3-7-17-13(12(9-14)15-16-17)10-5-4-6-11(8-10)18-2/h4-6,8H,3,7,9,14H2,1-2H3
InChIKeyIGAAWUMLNCVZHN-UHFFFAOYSA-N
XLogP1.82
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine
CID 82207885
[5-(3,4-dimethoxyphenyl)-1-propyltriazol-4-yl]methanamine
CID 82205143
[5-(3,5-dimethoxyphenyl)-1-pentyltriazol-4-yl]methanamine
CID 82205848
5-(3-methoxyphenyl)-1-propyltriazole-4-carboxylic acid
CID 82204829
[1-[(3-fluorophenyl)methyl]-5-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94946400
[5-(3-methoxyphenyl)-1-(2-methylpropyl)triazol-4-yl]methanol
CID 82208617
1-butyl-5-(3-methoxyphenyl)triazole-4-carbaldehyde
CID 82205339
(1-octyl-5-phenyltriazol-4-yl)methanamine
CID 126566340
[5-(3-chlorophenyl)-1-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94937736
2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]ethanol
CID 82210098
[5-(3-methoxyphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82221151
1-ethyl-5-(3-methoxyphenyl)triazole-4-carbonitrile
CID 82207275

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine?
The IUPAC name of [5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine (CID 82205137) is [5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine.
What is the SMILES notation for [5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine?
The canonical SMILES for [5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine is CCCn1nnc(CN)c1-c1cccc(OC)c1.
What is the InChIKey of [5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine?
The InChIKey is IGAAWUMLNCVZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-7-17-13(12(9-14)15-16-17)10-5-4-6-11(8-10)18-2/h4-6,8H,3,7,9,14H2,1-2H3.
What are the key properties of [5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine?
[5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine is sourced from PubChem (CID 82205137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).