2-methyl-1H-triazine

C4H7N3 — CID 19710587

IUPAC2-methyl-1H-triazine
SMILESCN1N=CC=CN1
InChIInChI=1S/C4H7N3/c1-7-5-3-2-4-6-7/h2-5H,1H3
InChIKeyWVIBQJBUDLZMLY-UHFFFAOYSA-N
MW97.12 g/mol
LogP-0.06
Rot. Bonds

About 2-methyl-1H-triazine

2-methyl-1H-triazine (PubChem CID 19710587) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 2-methyl-1H-triazine.

Molecular Properties

Compound Name2-methyl-1H-triazine
PubChem CID19710587
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name2-methyl-1H-triazine
SMILESCN1N=CC=CN1
InChIInChI=1S/C4H7N3/c1-7-5-3-2-4-6-7/h2-5H,1H3
InChIKeyWVIBQJBUDLZMLY-UHFFFAOYSA-N
XLogP-0.06
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-triazine?
The IUPAC name of 2-methyl-1H-triazine (CID 19710587) is 2-methyl-1H-triazine.
What is the SMILES notation for 2-methyl-1H-triazine?
The canonical SMILES for 2-methyl-1H-triazine is CN1N=CC=CN1.
What is the InChIKey of 2-methyl-1H-triazine?
The InChIKey is WVIBQJBUDLZMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c1-7-5-3-2-4-6-7/h2-5H,1H3.
What are the key properties of 2-methyl-1H-triazine?
2-methyl-1H-triazine has a molecular weight of 97.12 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-triazine is sourced from PubChem (CID 19710587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).