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

C5H11N3 — CID 69384775

IUPAC2,3,4-trimethyl-3H-1,2,4-triazole
SMILESCC1N(C)C=NN1C
InChIInChI=1S/C5H11N3/c1-5-7(2)4-6-8(5)3/h4-5H,1-3H3
InChIKeyKRPUVNUVQFPLHH-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.15
Rot. Bonds

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

2,3,4-trimethyl-3H-1,2,4-triazole (PubChem CID 69384775) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 2,3,4-trimethyl-3H-1,2,4-triazole.

Molecular Properties

Compound Name2,3,4-trimethyl-3H-1,2,4-triazole
PubChem CID69384775
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name2,3,4-trimethyl-3H-1,2,4-triazole
SMILESCC1N(C)C=NN1C
InChIInChI=1S/C5H11N3/c1-5-7(2)4-6-8(5)3/h4-5H,1-3H3
InChIKeyKRPUVNUVQFPLHH-UHFFFAOYSA-N
XLogP0.15
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-3H-1,2,4-triazole?
The IUPAC name of 2,3,4-trimethyl-3H-1,2,4-triazole (CID 69384775) is 2,3,4-trimethyl-3H-1,2,4-triazole.
What is the SMILES notation for 2,3,4-trimethyl-3H-1,2,4-triazole?
The canonical SMILES for 2,3,4-trimethyl-3H-1,2,4-triazole is CC1N(C)C=NN1C.
What is the InChIKey of 2,3,4-trimethyl-3H-1,2,4-triazole?
The InChIKey is KRPUVNUVQFPLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-5-7(2)4-6-8(5)3/h4-5H,1-3H3.
What are the key properties of 2,3,4-trimethyl-3H-1,2,4-triazole?
2,3,4-trimethyl-3H-1,2,4-triazole has a molecular weight of 113.16 g/mol, XLogP of 0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-3H-1,2,4-triazole is sourced from PubChem (CID 69384775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).