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

C7H11N3O — CID 89254865

IUPAC3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one
SMILESC=C1NC(=O)C=NN1C(C)C
InChIInChI=1S/C7H11N3O/c1-5(2)10-6(3)9-7(11)4-8-10/h4-5H,3H2,1-2H3,(H,9,11)
InChIKeyOVQQQRGNGZWIED-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.28
Rot. Bonds1

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

3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one (PubChem CID 89254865) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one
PubChem CID89254865
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one
SMILESC=C1NC(=O)C=NN1C(C)C
InChIInChI=1S/C7H11N3O/c1-5(2)10-6(3)9-7(11)4-8-10/h4-5H,3H2,1-2H3,(H,9,11)
InChIKeyOVQQQRGNGZWIED-UHFFFAOYSA-N
XLogP0.28
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one?
The IUPAC name of 3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one (CID 89254865) is 3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one.
What is the SMILES notation for 3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one?
The canonical SMILES for 3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one is C=C1NC(=O)C=NN1C(C)C.
What is the InChIKey of 3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one?
The InChIKey is OVQQQRGNGZWIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5(2)10-6(3)9-7(11)4-8-10/h4-5H,3H2,1-2H3,(H,9,11).
What are the key properties of 3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one?
3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one has a molecular weight of 153.18 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-propan-2-yl-1,2,4-triazin-5-one is sourced from PubChem (CID 89254865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).