1-[1-[(2,5-dimethoxyphenyl)methyl]triazol-4-yl]butan-1-amine

C15H22N4O2 — CID 106228693

IUPAC1-[1-[(2,5-dimethoxyphenyl)methyl]triazol-4-yl]butan-1-amine
SMILESCCCC(N)c1cn(Cc2cc(OC)ccc2OC)nn1
InChIInChI=1S/C15H22N4O2/c1-4-5-13(16)14-10-19(18-17-14)9-11-8-12(20-2)6-7-15(11)21-3/h6-8,10,13H,4-5,9,16H2,1-3H3
InChIKeyOKZOFDUNRWUCJE-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.14
Rot. Bonds7

About 1-[1-[(2,5-dimethoxyphenyl)methyl]triazol-4-yl]butan-1-amine

1-[1-[(2,5-dimethoxyphenyl)methyl]triazol-4-yl]butan-1-amine (PubChem CID 106228693) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[1-[(2,5-dimethoxyphenyl)methyl]triazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name1-[1-[(2,5-dimethoxyphenyl)methyl]triazol-4-yl]butan-1-amine
PubChem CID106228693
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[1-[(2,5-dimethoxyphenyl)methyl]triazol-4-yl]butan-1-amine
SMILESCCCC(N)c1cn(Cc2cc(OC)ccc2OC)nn1
InChIInChI=1S/C15H22N4O2/c1-4-5-13(16)14-10-19(18-17-14)9-11-8-12(20-2)6-7-15(11)21-3/h6-8,10,13H,4-5,9,16H2,1-3H3
InChIKeyOKZOFDUNRWUCJE-UHFFFAOYSA-N
XLogP2.14
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[(2,5-dimethoxyphenyl)methyl]triazol-4-yl]butan-1-amine 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

1-[1-[(2,5-dimethoxyphenyl)methyl]triazol-4-yl]ethanol
CID 81444017
4-(1-chloroethyl)-1-[(2,5-dimethoxyphenyl)methyl]triazole
CID 81449512
1-[1-[(2-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]propan-1-amine
CID 106227853
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine
CID 106229070
1-[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]ethanamine
CID 114419411
1-[1-[(5-bromo-2-fluorophenyl)methyl]triazol-4-yl]butan-1-amine
CID 106228788
1-(2,5-dimethoxyphenyl)pentan-2-amine
CID 82255255
4-(1-bromoethyl)-1-[(5-bromo-2-methoxyphenyl)methyl]triazole
CID 81449354
1-[1-[(2-chloro-3-fluorophenyl)methyl]triazol-4-yl]butan-1-amine
CID 106229222
1-[1-[(3-chloro-2-fluorophenyl)methyl]triazol-4-yl]butan-1-amine
CID 106229491
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
1-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine
CID 106229058

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,5-dimethoxyphenyl)methyl]triazol-4-yl]butan-1-amine?
The IUPAC name of 1-[1-[(2,5-dimethoxyphenyl)methyl]triazol-4-yl]butan-1-amine (CID 106228693) is 1-[1-[(2,5-dimethoxyphenyl)methyl]triazol-4-yl]butan-1-amine.
What is the SMILES notation for 1-[1-[(2,5-dimethoxyphenyl)methyl]triazol-4-yl]butan-1-amine?
The canonical SMILES for 1-[1-[(2,5-dimethoxyphenyl)methyl]triazol-4-yl]butan-1-amine is CCCC(N)c1cn(Cc2cc(OC)ccc2OC)nn1.
What is the InChIKey of 1-[1-[(2,5-dimethoxyphenyl)methyl]triazol-4-yl]butan-1-amine?
The InChIKey is OKZOFDUNRWUCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-5-13(16)14-10-19(18-17-14)9-11-8-12(20-2)6-7-15(11)21-3/h6-8,10,13H,4-5,9,16H2,1-3H3.
What are the key properties of 1-[1-[(2,5-dimethoxyphenyl)methyl]triazol-4-yl]butan-1-amine?
1-[1-[(2,5-dimethoxyphenyl)methyl]triazol-4-yl]butan-1-amine has a molecular weight of 290.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,5-dimethoxyphenyl)methyl]triazol-4-yl]butan-1-amine is sourced from PubChem (CID 106228693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).