4-methyl-2H-triazole

C3H5N3 — CID 12933420

IUPAC4-methyl-2H-triazole
SMILESCc1cn[nH]n1
InChIInChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)
InChIKeyGVSNQMFKEPBIOY-UHFFFAOYSA-N
MW83.09 g/mol
LogP0.11
Rot. Bonds

About 4-methyl-2H-triazole

4-methyl-2H-triazole (PubChem CID 12933420) has the molecular formula C3H5N3 and a molecular weight of 83.09 g/mol. Its IUPAC name is 4-methyl-2H-triazole.

Molecular Properties

Compound Name4-methyl-2H-triazole
PubChem CID12933420
Molecular FormulaC3H5N3
Molecular Weight83.09 g/mol
Exact Mass83.05
IUPAC Name4-methyl-2H-triazole
SMILESCc1cn[nH]n1
InChIInChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)
InChIKeyGVSNQMFKEPBIOY-UHFFFAOYSA-N
XLogP0.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.09
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2H-triazole?
The IUPAC name of 4-methyl-2H-triazole (CID 12933420) is 4-methyl-2H-triazole.
What is the SMILES notation for 4-methyl-2H-triazole?
The canonical SMILES for 4-methyl-2H-triazole is Cc1cn[nH]n1.
What is the InChIKey of 4-methyl-2H-triazole?
The InChIKey is GVSNQMFKEPBIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6).
What are the key properties of 4-methyl-2H-triazole?
4-methyl-2H-triazole has a molecular weight of 83.09 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2H-triazole is sourced from PubChem (CID 12933420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).