2-(1H-imidazol-5-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

C8H12N6 — CID 62694253

IUPAC2-(1H-imidazol-5-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCn1cnnc1C(N)Cc1cnc[nH]1
InChIInChI=1S/C8H12N6/c1-14-5-12-13-8(14)7(9)2-6-3-10-4-11-6/h3-5,7H,2,9H2,1H3,(H,10,11)
InChIKeyHKLONVJBBPJHSO-UHFFFAOYSA-N
MW192.23 g/mol
LogP-0.22
Rot. Bonds3

About 2-(1H-imidazol-5-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

2-(1H-imidazol-5-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 62694253) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID62694253
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name2-(1H-imidazol-5-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCn1cnnc1C(N)Cc1cnc[nH]1
InChIInChI=1S/C8H12N6/c1-14-5-12-13-8(14)7(9)2-6-3-10-4-11-6/h3-5,7H,2,9H2,1H3,(H,10,11)
InChIKeyHKLONVJBBPJHSO-UHFFFAOYSA-N
XLogP-0.22
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1H-imidazol-5-yl)-1-(4-methyl-1,2,4-triazol-3-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

Related Compounds

(1R)-2-(1H-imidazol-5-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104895424
5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole-3,4-diamine
CID 104895432
(1S)-2-(1H-imidazol-5-yl)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104895409
(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride
CID 53313193
1-(4-fluoro-1-methylbenzimidazol-2-yl)-2-(1H-imidazol-5-yl)ethanamine
CID 54920207
(1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine
CID 165485208
(1S)-2-(1H-imidazol-5-yl)-1-[5-(2-methylpropyl)-2-pyridin-4-yl-1,2,4-triazol-3-yl]ethanamine
CID 131931148
4-[2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,2-diol
CID 55108772
1-(1H-imidazol-5-yl)pentan-2-amine
CID 84752942
(2R)-2-amino-3-(1H-imidazol-5-yl)propanamide
CID 22877832
3-amino-4-(1H-imidazol-5-yl)butan-2-ol
CID 123261764
3-(1H-imidazol-5-yl)-1-N-methylpropane-1,2-diamine
CID 22084622

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 2-(1H-imidazol-5-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (CID 62694253) is 2-(1H-imidazol-5-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 2-(1H-imidazol-5-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is Cn1cnnc1C(N)Cc1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is HKLONVJBBPJHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-14-5-12-13-8(14)7(9)2-6-3-10-4-11-6/h3-5,7H,2,9H2,1H3,(H,10,11).
What are the key properties of 2-(1H-imidazol-5-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
2-(1H-imidazol-5-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 192.23 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 62694253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).