1-[3-(1-methylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine

C8H12N6 — CID 65198061

IUPAC1-[3-(1-methylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine
SMILESCC(N)c1nc(-c2ccn(C)n2)n[nH]1
InChIInChI=1S/C8H12N6/c1-5(9)7-10-8(12-11-7)6-3-4-14(2)13-6/h3-5H,9H2,1-2H3,(H,10,11,12)
InChIKeyJTRSQBXYUWMWHV-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.22
Rot. Bonds2

About 1-[3-(1-methylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine

1-[3-(1-methylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine (PubChem CID 65198061) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-[3-(1-methylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(1-methylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine
PubChem CID65198061
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name1-[3-(1-methylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine
SMILESCC(N)c1nc(-c2ccn(C)n2)n[nH]1
InChIInChI=1S/C8H12N6/c1-5(9)7-10-8(12-11-7)6-3-4-14(2)13-6/h3-5H,9H2,1-2H3,(H,10,11,12)
InChIKeyJTRSQBXYUWMWHV-UHFFFAOYSA-N
XLogP0.22
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-(1-methylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine 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 1-[3-(1-methylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine?
The IUPAC name of 1-[3-(1-methylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine (CID 65198061) is 1-[3-(1-methylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine.
What is the SMILES notation for 1-[3-(1-methylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine?
The canonical SMILES for 1-[3-(1-methylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine is CC(N)c1nc(-c2ccn(C)n2)n[nH]1.
What is the InChIKey of 1-[3-(1-methylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine?
The InChIKey is JTRSQBXYUWMWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-5(9)7-10-8(12-11-7)6-3-4-14(2)13-6/h3-5H,9H2,1-2H3,(H,10,11,12).
What are the key properties of 1-[3-(1-methylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine?
1-[3-(1-methylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine has a molecular weight of 192.23 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine is sourced from PubChem (CID 65198061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).