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

C14H20N4O2 — CID 82205143

IUPAC[5-(3,4-dimethoxyphenyl)-1-propyltriazol-4-yl]methanamine
SMILESCCCn1nnc(CN)c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H20N4O2/c1-4-7-18-14(11(9-15)16-17-18)10-5-6-12(19-2)13(8-10)20-3/h5-6,8H,4,7,9,15H2,1-3H3
InChIKeyHZTKIZOFSLVZCG-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.83
Rot. Bonds6

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

[5-(3,4-dimethoxyphenyl)-1-propyltriazol-4-yl]methanamine (PubChem CID 82205143) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is [5-(3,4-dimethoxyphenyl)-1-propyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3,4-dimethoxyphenyl)-1-propyltriazol-4-yl]methanamine
PubChem CID82205143
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name[5-(3,4-dimethoxyphenyl)-1-propyltriazol-4-yl]methanamine
SMILESCCCn1nnc(CN)c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H20N4O2/c1-4-7-18-14(11(9-15)16-17-18)10-5-6-12(19-2)13(8-10)20-3/h5-6,8H,4,7,9,15H2,1-3H3
InChIKeyHZTKIZOFSLVZCG-UHFFFAOYSA-N
XLogP1.83
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine
CID 82205137
[5-(3,4-dimethoxyphenyl)-1-propan-2-yltriazol-4-yl]methanamine
CID 82207058
2-[4-(aminomethyl)-5-(3,4,5-trimethoxyphenyl)triazol-1-yl]ethanol
CID 94945382
[5-(3,5-dimethoxyphenyl)-1-pentyltriazol-4-yl]methanamine
CID 82205848
[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-pentyltriazole-4-carboxylic acid
CID 94943980
5-(3,4-dimethoxyphenyl)-1-hexyltriazole-4-carbaldehyde
CID 94944077
[1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82207457
(1-octyl-5-phenyltriazol-4-yl)methanamine
CID 126566340
[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanamine
CID 82207504
2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol
CID 82210106

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethoxyphenyl)-1-propyltriazol-4-yl]methanamine?
The IUPAC name of [5-(3,4-dimethoxyphenyl)-1-propyltriazol-4-yl]methanamine (CID 82205143) is [5-(3,4-dimethoxyphenyl)-1-propyltriazol-4-yl]methanamine.
What is the SMILES notation for [5-(3,4-dimethoxyphenyl)-1-propyltriazol-4-yl]methanamine?
The canonical SMILES for [5-(3,4-dimethoxyphenyl)-1-propyltriazol-4-yl]methanamine is CCCn1nnc(CN)c1-c1ccc(OC)c(OC)c1.
What is the InChIKey of [5-(3,4-dimethoxyphenyl)-1-propyltriazol-4-yl]methanamine?
The InChIKey is HZTKIZOFSLVZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-7-18-14(11(9-15)16-17-18)10-5-6-12(19-2)13(8-10)20-3/h5-6,8H,4,7,9,15H2,1-3H3.
What are the key properties of [5-(3,4-dimethoxyphenyl)-1-propyltriazol-4-yl]methanamine?
[5-(3,4-dimethoxyphenyl)-1-propyltriazol-4-yl]methanamine has a molecular weight of 276.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethoxyphenyl)-1-propyltriazol-4-yl]methanamine is sourced from PubChem (CID 82205143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).