N-ethyl-2-(4-phenyl-1,2,4-triazol-3-yl)propan-2-amine

C13H18N4 — CID 62817130

IUPACN-ethyl-2-(4-phenyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCNC(C)(C)c1nncn1-c1ccccc1
InChIInChI=1S/C13H18N4/c1-4-14-13(2,3)12-16-15-10-17(12)11-8-6-5-7-9-11/h5-10,14H,4H2,1-3H3
InChIKeyKAGKTMWVAOMULG-UHFFFAOYSA-N
MW230.32 g/mol
LogP2.11
Rot. Bonds4

About N-ethyl-2-(4-phenyl-1,2,4-triazol-3-yl)propan-2-amine

N-ethyl-2-(4-phenyl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 62817130) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is N-ethyl-2-(4-phenyl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-phenyl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID62817130
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC NameN-ethyl-2-(4-phenyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCNC(C)(C)c1nncn1-c1ccccc1
InChIInChI=1S/C13H18N4/c1-4-14-13(2,3)12-16-15-10-17(12)11-8-6-5-7-9-11/h5-10,14H,4H2,1-3H3
InChIKeyKAGKTMWVAOMULG-UHFFFAOYSA-N
XLogP2.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-(4-phenyl-1,2,4-triazol-3-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-phenyl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of N-ethyl-2-(4-phenyl-1,2,4-triazol-3-yl)propan-2-amine (CID 62817130) is N-ethyl-2-(4-phenyl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-2-(4-phenyl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for N-ethyl-2-(4-phenyl-1,2,4-triazol-3-yl)propan-2-amine is CCNC(C)(C)c1nncn1-c1ccccc1.
What is the InChIKey of N-ethyl-2-(4-phenyl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is KAGKTMWVAOMULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-4-14-13(2,3)12-16-15-10-17(12)11-8-6-5-7-9-11/h5-10,14H,4H2,1-3H3.
What are the key properties of N-ethyl-2-(4-phenyl-1,2,4-triazol-3-yl)propan-2-amine?
N-ethyl-2-(4-phenyl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 230.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-phenyl-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 62817130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).