(S)-(4-ethyl-1,2,4-triazol-3-yl)-phenylmethanamine

C11H14N4 — CID 94552562

IUPAC(S)-(4-ethyl-1,2,4-triazol-3-yl)-phenylmethanamine
SMILESCCn1cnnc1[C@@H](N)c1ccccc1
InChIInChI=1S/C11H14N4/c1-2-15-8-13-14-11(15)10(12)9-6-4-3-5-7-9/h3-8,10H,2,12H2,1H3/t10-/m0/s1
InChIKeyPGKKXMORKXVNHQ-JTQLQIEISA-N
MW202.26 g/mol
LogP1.35
Rot. Bonds3

About (S)-(4-ethyl-1,2,4-triazol-3-yl)-phenylmethanamine

(S)-(4-ethyl-1,2,4-triazol-3-yl)-phenylmethanamine (PubChem CID 94552562) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is (S)-(4-ethyl-1,2,4-triazol-3-yl)-phenylmethanamine.

Molecular Properties

Compound Name(S)-(4-ethyl-1,2,4-triazol-3-yl)-phenylmethanamine
PubChem CID94552562
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name(S)-(4-ethyl-1,2,4-triazol-3-yl)-phenylmethanamine
SMILESCCn1cnnc1[C@@H](N)c1ccccc1
InChIInChI=1S/C11H14N4/c1-2-15-8-13-14-11(15)10(12)9-6-4-3-5-7-9/h3-8,10H,2,12H2,1H3/t10-/m0/s1
InChIKeyPGKKXMORKXVNHQ-JTQLQIEISA-N
XLogP1.35
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (S)-(4-ethyl-1,2,4-triazol-3-yl)-phenylmethanamine 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 (S)-(4-ethyl-1,2,4-triazol-3-yl)-phenylmethanamine?
The IUPAC name of (S)-(4-ethyl-1,2,4-triazol-3-yl)-phenylmethanamine (CID 94552562) is (S)-(4-ethyl-1,2,4-triazol-3-yl)-phenylmethanamine.
What is the SMILES notation for (S)-(4-ethyl-1,2,4-triazol-3-yl)-phenylmethanamine?
The canonical SMILES for (S)-(4-ethyl-1,2,4-triazol-3-yl)-phenylmethanamine is CCn1cnnc1[C@@H](N)c1ccccc1.
What is the InChIKey of (S)-(4-ethyl-1,2,4-triazol-3-yl)-phenylmethanamine?
The InChIKey is PGKKXMORKXVNHQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14N4/c1-2-15-8-13-14-11(15)10(12)9-6-4-3-5-7-9/h3-8,10H,2,12H2,1H3/t10-/m0/s1.
What are the key properties of (S)-(4-ethyl-1,2,4-triazol-3-yl)-phenylmethanamine?
(S)-(4-ethyl-1,2,4-triazol-3-yl)-phenylmethanamine has a molecular weight of 202.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-ethyl-1,2,4-triazol-3-yl)-phenylmethanamine is sourced from PubChem (CID 94552562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).