3-methyl-6-methylidene-1,2-dihydrotriazine

C5H9N3 — CID 123273085

IUPAC3-methyl-6-methylidene-1,2-dihydrotriazine
SMILESC=C1C=CN(C)NN1
InChIInChI=1S/C5H9N3/c1-5-3-4-8(2)7-6-5/h3-4,6-7H,1H2,2H3
InChIKeyVHMVUDXTTWPCQD-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.03
Rot. Bonds

About 3-methyl-6-methylidene-1,2-dihydrotriazine

3-methyl-6-methylidene-1,2-dihydrotriazine (PubChem CID 123273085) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 3-methyl-6-methylidene-1,2-dihydrotriazine.

Molecular Properties

Compound Name3-methyl-6-methylidene-1,2-dihydrotriazine
PubChem CID123273085
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name3-methyl-6-methylidene-1,2-dihydrotriazine
SMILESC=C1C=CN(C)NN1
InChIInChI=1S/C5H9N3/c1-5-3-4-8(2)7-6-5/h3-4,6-7H,1H2,2H3
InChIKeyVHMVUDXTTWPCQD-UHFFFAOYSA-N
XLogP-0.03
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-methylidene-1,2-dihydrotriazine?
The IUPAC name of 3-methyl-6-methylidene-1,2-dihydrotriazine (CID 123273085) is 3-methyl-6-methylidene-1,2-dihydrotriazine.
What is the SMILES notation for 3-methyl-6-methylidene-1,2-dihydrotriazine?
The canonical SMILES for 3-methyl-6-methylidene-1,2-dihydrotriazine is C=C1C=CN(C)NN1.
What is the InChIKey of 3-methyl-6-methylidene-1,2-dihydrotriazine?
The InChIKey is VHMVUDXTTWPCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-5-3-4-8(2)7-6-5/h3-4,6-7H,1H2,2H3.
What are the key properties of 3-methyl-6-methylidene-1,2-dihydrotriazine?
3-methyl-6-methylidene-1,2-dihydrotriazine has a molecular weight of 111.15 g/mol, XLogP of -0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-methylidene-1,2-dihydrotriazine is sourced from PubChem (CID 123273085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).