3,4,5-trimethyl-1,2,4-triazole

C5H9N3 — CID 573470

IUPAC3,4,5-trimethyl-1,2,4-triazole
SMILESCc1nnc(C)n1C
InChIInChI=1S/C5H9N3/c1-4-6-7-5(2)8(4)3/h1-3H3
InChIKeyLPZFPHRTKOOKLX-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.43
Rot. Bonds

About 3,4,5-trimethyl-1,2,4-triazole

3,4,5-trimethyl-1,2,4-triazole (PubChem CID 573470) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 3,4,5-trimethyl-1,2,4-triazole.

Molecular Properties

Compound Name3,4,5-trimethyl-1,2,4-triazole
PubChem CID573470
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name3,4,5-trimethyl-1,2,4-triazole
SMILESCc1nnc(C)n1C
InChIInChI=1S/C5H9N3/c1-4-6-7-5(2)8(4)3/h1-3H3
InChIKeyLPZFPHRTKOOKLX-UHFFFAOYSA-N
XLogP0.43
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl-1H-1,2,4-triazol-3-amine
CID 307976
3,4-dimethyl-4H-1,2,4-triazole
CID 12217053
dimethyl-1H-1,2,4-triazole-5-carbonitrile
CID 82650970
5-Chloro-1,3-dimethyl-1H-1,2,4-triazole
CID 143397
3-(chloromethyl)-4,5-dimethyl-4H-1,2,4-triazole
CID 23462358
1,3-dimethyl-1H-1,2,4-triazol-5-amine
CID 307975
4H-1,2,4-Triazole, 3-bromo-4,5-dimethyl-
CID 143389
3-chloro-4,5-dimethyl-4H-1,2,4-triazole
CID 143390
dimethyl-4H-1,2,4-triazol-3-amine hydroiodide
CID 12252711
4-ethyl-3-methyl-4H-1,2,4-triazole
CID 12278549
3-ethyl-4-methyl-4H-1,2,4-triazole
CID 18726713
(dimethyl-4H-1,2,4-triazol-3-yl)methanamine
CID 43524624

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-1,2,4-triazole?
The IUPAC name of 3,4,5-trimethyl-1,2,4-triazole (CID 573470) is 3,4,5-trimethyl-1,2,4-triazole.
What is the SMILES notation for 3,4,5-trimethyl-1,2,4-triazole?
The canonical SMILES for 3,4,5-trimethyl-1,2,4-triazole is Cc1nnc(C)n1C.
What is the InChIKey of 3,4,5-trimethyl-1,2,4-triazole?
The InChIKey is LPZFPHRTKOOKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-4-6-7-5(2)8(4)3/h1-3H3.
What are the key properties of 3,4,5-trimethyl-1,2,4-triazole?
3,4,5-trimethyl-1,2,4-triazole has a molecular weight of 111.15 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-1,2,4-triazole is sourced from PubChem (CID 573470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).