1-(2-phenyltriazol-4-yl)-3-thiophen-2-ylpropan-1-amine

C15H16N4S — CID 105150214

IUPAC1-(2-phenyltriazol-4-yl)-3-thiophen-2-ylpropan-1-amine
SMILESNC(CCc1cccs1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H16N4S/c16-14(9-8-13-7-4-10-20-13)15-11-17-19(18-15)12-5-2-1-3-6-12/h1-7,10-11,14H,8-9,16H2
InChIKeyDNCUBLNXDCZDII-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.96
Rot. Bonds5

About 1-(2-phenyltriazol-4-yl)-3-thiophen-2-ylpropan-1-amine

1-(2-phenyltriazol-4-yl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 105150214) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 1-(2-phenyltriazol-4-yl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-phenyltriazol-4-yl)-3-thiophen-2-ylpropan-1-amine
PubChem CID105150214
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name1-(2-phenyltriazol-4-yl)-3-thiophen-2-ylpropan-1-amine
SMILESNC(CCc1cccs1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H16N4S/c16-14(9-8-13-7-4-10-20-13)15-11-17-19(18-15)12-5-2-1-3-6-12/h1-7,10-11,14H,8-9,16H2
InChIKeyDNCUBLNXDCZDII-UHFFFAOYSA-N
XLogP2.96
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-phenyltriazol-4-yl)-3-thiophen-2-ylpropan-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-phenylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150213
3-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)propan-1-amine
CID 103030204
1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine
CID 79722432
2-(5-chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanamine
CID 105135061
1-(1,5-dimethylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150310
1-(4-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine
CID 63840233
4-pentan-2-yl-2-phenyltriazole
CID 163429787
1-[(2-phenyltriazol-4-yl)methyl]-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 51116318
1-pyrazolo[1,5-a]pyrazin-3-yl-3-thiophen-2-ylpropan-1-amine
CID 103127230
1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine
CID 81144341
1-(2-methyltriazol-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 112735841
2-(3-chloro-4-pyridinyl)-1-(2-phenyltriazol-4-yl)ethanamine
CID 105157346

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyltriazol-4-yl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(2-phenyltriazol-4-yl)-3-thiophen-2-ylpropan-1-amine (CID 105150214) is 1-(2-phenyltriazol-4-yl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2-phenyltriazol-4-yl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(2-phenyltriazol-4-yl)-3-thiophen-2-ylpropan-1-amine is NC(CCc1cccs1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 1-(2-phenyltriazol-4-yl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is DNCUBLNXDCZDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c16-14(9-8-13-7-4-10-20-13)15-11-17-19(18-15)12-5-2-1-3-6-12/h1-7,10-11,14H,8-9,16H2.
What are the key properties of 1-(2-phenyltriazol-4-yl)-3-thiophen-2-ylpropan-1-amine?
1-(2-phenyltriazol-4-yl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 284.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyltriazol-4-yl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 105150214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).