6-methyl-3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one

C8H13N3O — CID 170452258

IUPAC6-methyl-3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one
SMILESC=C1NC(=O)C(C)=NN1C(C)C
InChIInChI=1S/C8H13N3O/c1-5(2)11-7(4)9-8(12)6(3)10-11/h5H,4H2,1-3H3,(H,9,12)
InChIKeyUVARFYNTARLYGB-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.67
Rot. Bonds1

About 6-methyl-3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one

6-methyl-3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one (PubChem CID 170452258) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 6-methyl-3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one
PubChem CID170452258
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name6-methyl-3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one
SMILESC=C1NC(=O)C(C)=NN1C(C)C
InChIInChI=1S/C8H13N3O/c1-5(2)11-7(4)9-8(12)6(3)10-11/h5H,4H2,1-3H3,(H,9,12)
InChIKeyUVARFYNTARLYGB-UHFFFAOYSA-N
XLogP0.67
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Dimethyl-3-methylidene-1,2,4-triazin-5-one
CID 58808812
2-Tert-butyl-6-methyl-3-methylidene-1,2,4-triazin-5-one
CID 58821073
3-Methylidene-2-propan-2-yl-1,2,4-triazin-5-one
CID 89254865

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one (CID 170452258) is 6-methyl-3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one is C=C1NC(=O)C(C)=NN1C(C)C.
What is the InChIKey of 6-methyl-3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one?
The InChIKey is UVARFYNTARLYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5(2)11-7(4)9-8(12)6(3)10-11/h5H,4H2,1-3H3,(H,9,12).
What are the key properties of 6-methyl-3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one?
6-methyl-3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one has a molecular weight of 167.21 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one is sourced from PubChem (CID 170452258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).