4-methyl-1,4-dihydro-1,3,5-triazine

C4H7N3 — CID 10534622

IUPAC4-methyl-1,4-dihydro-1,3,5-triazine
SMILESCC1N=CNC=N1
InChIInChI=1S/C4H7N3/c1-4-6-2-5-3-7-4/h2-4H,1H3,(H,5,6,7)
InChIKeyHLMHKKVJSPHKDM-UHFFFAOYSA-N
MW97.12 g/mol
LogP-0.01
Rot. Bonds

About 4-methyl-1,4-dihydro-1,3,5-triazine

4-methyl-1,4-dihydro-1,3,5-triazine (PubChem CID 10534622) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 4-methyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-methyl-1,4-dihydro-1,3,5-triazine
PubChem CID10534622
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name4-methyl-1,4-dihydro-1,3,5-triazine
SMILESCC1N=CNC=N1
InChIInChI=1S/C4H7N3/c1-4-6-2-5-3-7-4/h2-4H,1H3,(H,5,6,7)
InChIKeyHLMHKKVJSPHKDM-UHFFFAOYSA-N
XLogP-0.01
TPSA36.75 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 ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-methyl-1,4-dihydro-1,3,5-triazine (CID 10534622) is 4-methyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-methyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-methyl-1,4-dihydro-1,3,5-triazine is CC1N=CNC=N1.
What is the InChIKey of 4-methyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is HLMHKKVJSPHKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c1-4-6-2-5-3-7-4/h2-4H,1H3,(H,5,6,7).
What are the key properties of 4-methyl-1,4-dihydro-1,3,5-triazine?
4-methyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 97.12 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 10534622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).