3,5-dimethyl-1H-1,2,4-triazole;ethane

C6H13N3 — CID 91302987

IUPAC3,5-dimethyl-1H-1,2,4-triazole;ethane
SMILESCC.Cc1n[nH]c(C)n1
InChIInChI=1S/C4H7N3.C2H6/c1-3-5-4(2)7-6-3;1-2/h1-2H3,(H,5,6,7);1-2H3
InChIKeyPXHODFDOEPBCEX-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.45
Rot. Bonds

About 3,5-dimethyl-1H-1,2,4-triazole;ethane

3,5-dimethyl-1H-1,2,4-triazole;ethane (PubChem CID 91302987) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 3,5-dimethyl-1H-1,2,4-triazole;ethane.

Molecular Properties

Compound Name3,5-dimethyl-1H-1,2,4-triazole;ethane
PubChem CID91302987
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name3,5-dimethyl-1H-1,2,4-triazole;ethane
SMILESCC.Cc1n[nH]c(C)n1
InChIInChI=1S/C4H7N3.C2H6/c1-3-5-4(2)7-6-3;1-2/h1-2H3,(H,5,6,7);1-2H3
InChIKeyPXHODFDOEPBCEX-UHFFFAOYSA-N
XLogP1.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-dimethyl-1H-1,2,4-triazole;ethane 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

4-Amino-3,5-dimethyl-1,2,4-triazole
CID 229800
3-Amino-5-methyl-4H-1,2,4-triazole
CID 234610
2-(5-ethyl-1H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride
CID 16682443
1H-1,2,4-Triazole, 3,5-dimethyl-
CID 139001
3,5-diethyl-1H-1,2,4-triazole
CID 15520387
5-(propan-2-yl)-4H-1,2,4-triazol-3-amine
CID 2756463
1H-1,2,4-Triazole, 3-chloro-5-methyl-
CID 139923
3,5-Diethyl-4h-1,2,4-triazol-4-amine
CID 221248
3-ethyl-1H-1,2,4-triazol-5-amine
CID 1714204
3-chloro-5-isopropyl-1H-1,2,4-triazole
CID 45492456
1H-1,2,4-Triazole, 3-azido-5-methyl-
CID 135470574
1H-1,2,4-Triazole, 3-methyl-5-(methylthio)-
CID 544852

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1H-1,2,4-triazole;ethane?
The IUPAC name of 3,5-dimethyl-1H-1,2,4-triazole;ethane (CID 91302987) is 3,5-dimethyl-1H-1,2,4-triazole;ethane.
What is the SMILES notation for 3,5-dimethyl-1H-1,2,4-triazole;ethane?
The canonical SMILES for 3,5-dimethyl-1H-1,2,4-triazole;ethane is CC.Cc1n[nH]c(C)n1.
What is the InChIKey of 3,5-dimethyl-1H-1,2,4-triazole;ethane?
The InChIKey is PXHODFDOEPBCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3.C2H6/c1-3-5-4(2)7-6-3;1-2/h1-2H3,(H,5,6,7);1-2H3.
What are the key properties of 3,5-dimethyl-1H-1,2,4-triazole;ethane?
3,5-dimethyl-1H-1,2,4-triazole;ethane has a molecular weight of 127.19 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1H-1,2,4-triazole;ethane is sourced from PubChem (CID 91302987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).