1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine

C14H20N4 — CID 106228757

IUPAC1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine
SMILESCCCC(N)c1cn(CCc2ccccc2)nn1
InChIInChI=1S/C14H20N4/c1-2-6-13(15)14-11-18(17-16-14)10-9-12-7-4-3-5-8-12/h3-5,7-8,11,13H,2,6,9-10,15H2,1H3
InChIKeyWODHTHHVZXSUJF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.32
Rot. Bonds6

About 1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine

1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine (PubChem CID 106228757) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine
PubChem CID106228757
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine
SMILESCCCC(N)c1cn(CCc2ccccc2)nn1
InChIInChI=1S/C14H20N4/c1-2-6-13(15)14-11-18(17-16-14)10-9-12-7-4-3-5-8-12/h3-5,7-8,11,13H,2,6,9-10,15H2,1H3
InChIKeyWODHTHHVZXSUJF-UHFFFAOYSA-N
XLogP2.32
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2-phenylethyl)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-phenylethyl)triazol-4-yl]propan-1-amine
CID 106227563
1-(1-pentyltriazol-4-yl)butan-1-amine
CID 106228799
1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine
CID 106228916
1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]butan-1-amine
CID 106229422
1-[1-[(2-bromophenyl)methyl]triazol-4-yl]butan-1-amine
CID 114161233
2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide
CID 106229529
3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide
CID 106228612
1-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]butan-1-amine
CID 114161205
1-[1-[(3-chloro-2-fluorophenyl)methyl]triazol-4-yl]butan-1-amine
CID 106229491
1-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine
CID 106229058
1-[1-[2-(2,4-dichlorophenoxy)ethyl]triazol-4-yl]butan-1-amine
CID 106229546
1-[1-[(2-chloro-3-fluorophenyl)methyl]triazol-4-yl]butan-1-amine
CID 106229222

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine?
The IUPAC name of 1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine (CID 106228757) is 1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine.
What is the SMILES notation for 1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine?
The canonical SMILES for 1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine is CCCC(N)c1cn(CCc2ccccc2)nn1.
What is the InChIKey of 1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine?
The InChIKey is WODHTHHVZXSUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-6-13(15)14-11-18(17-16-14)10-9-12-7-4-3-5-8-12/h3-5,7-8,11,13H,2,6,9-10,15H2,1H3.
What are the key properties of 1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine?
1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine is sourced from PubChem (CID 106228757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).