3,6-dimethyl-1,2,4-triazine

C5H7N3 — CID 22151763

IUPAC3,6-dimethyl-1,2,4-triazine
SMILESCc1cnc(C)nn1
InChIInChI=1S/C5H7N3/c1-4-3-6-5(2)8-7-4/h3H,1-2H3
InChIKeyIEYZDSWQKBBPSF-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.49
Rot. Bonds

About 3,6-dimethyl-1,2,4-triazine

3,6-dimethyl-1,2,4-triazine (PubChem CID 22151763) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 3,6-dimethyl-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dimethyl-1,2,4-triazine
PubChem CID22151763
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name3,6-dimethyl-1,2,4-triazine
SMILESCc1cnc(C)nn1
InChIInChI=1S/C5H7N3/c1-4-3-6-5(2)8-7-4/h3H,1-2H3
InChIKeyIEYZDSWQKBBPSF-UHFFFAOYSA-N
XLogP0.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1,2,4-triazine?
The IUPAC name of 3,6-dimethyl-1,2,4-triazine (CID 22151763) is 3,6-dimethyl-1,2,4-triazine.
What is the SMILES notation for 3,6-dimethyl-1,2,4-triazine?
The canonical SMILES for 3,6-dimethyl-1,2,4-triazine is Cc1cnc(C)nn1.
What is the InChIKey of 3,6-dimethyl-1,2,4-triazine?
The InChIKey is IEYZDSWQKBBPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c1-4-3-6-5(2)8-7-4/h3H,1-2H3.
What are the key properties of 3,6-dimethyl-1,2,4-triazine?
3,6-dimethyl-1,2,4-triazine has a molecular weight of 109.13 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1,2,4-triazine is sourced from PubChem (CID 22151763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).