2,3-dimethyl-4H-triazole

C4H9N3 — CID 21043315

IUPAC2,3-dimethyl-4H-triazole
SMILESCN1CC=NN1C
InChIInChI=1S/C4H9N3/c1-6-4-3-5-7(6)2/h3H,4H2,1-2H3
InChIKeyITCCCAWLDSDHIJ-UHFFFAOYSA-N
MW99.14 g/mol
LogP-0.24
Rot. Bonds

About 2,3-dimethyl-4H-triazole

2,3-dimethyl-4H-triazole (PubChem CID 21043315) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is 2,3-dimethyl-4H-triazole.

Molecular Properties

Compound Name2,3-dimethyl-4H-triazole
PubChem CID21043315
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Name2,3-dimethyl-4H-triazole
SMILESCN1CC=NN1C
InChIInChI=1S/C4H9N3/c1-6-4-3-5-7(6)2/h3H,4H2,1-2H3
InChIKeyITCCCAWLDSDHIJ-UHFFFAOYSA-N
XLogP-0.24
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-dimethyl-4H-triazole 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

Acetaldehyde, 2,2-dimethylhydrazone
CID 6850059
Acetaldehyde dimethylhydrazone
CID 81922
Propanal, dimethylhydrazone
CID 5962214
Propanal dimethylhydrazone
CID 343142
Butanal dimethylhydrazone
CID 517836
Acetaldehyde diethyl hydrazone
CID 522525
Acetalde-hyde dimethylhydrazone
CID 5367989
Butanal, dimethylhydrazone
CID 9601578
Ethanal, ethylmethylhydrazone
CID 18714588
Ethanedial, bis(dimethylhydrazone)
CID 9601560
1-Methyl-4,5-dihydro-1H-pyrazole
CID 13330488
Acetaldehyde, diethylhydrazone
CID 9602426

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4H-triazole?
The IUPAC name of 2,3-dimethyl-4H-triazole (CID 21043315) is 2,3-dimethyl-4H-triazole.
What is the SMILES notation for 2,3-dimethyl-4H-triazole?
The canonical SMILES for 2,3-dimethyl-4H-triazole is CN1CC=NN1C.
What is the InChIKey of 2,3-dimethyl-4H-triazole?
The InChIKey is ITCCCAWLDSDHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3/c1-6-4-3-5-7(6)2/h3H,4H2,1-2H3.
What are the key properties of 2,3-dimethyl-4H-triazole?
2,3-dimethyl-4H-triazole has a molecular weight of 99.14 g/mol, XLogP of -0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4H-triazole is sourced from PubChem (CID 21043315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).