2-[(2E)-2-[(E)-but-2-enylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C9H12N4O — CID 135472837

IUPAC2-[(2E)-2-[(E)-but-2-enylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESC/C=C/C=N/Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C9H12N4O/c1-3-4-5-10-13-9-11-7(2)6-8(14)12-9/h3-6H,1-2H3,(H2,11,12,13,14)/b4-3+,10-5+
InChIKeyDMOPQZRNVVEDED-COBAKMAKSA-N
MW192.22 g/mol
LogP1.05
Rot. Bonds3

About 2-[(2E)-2-[(E)-but-2-enylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[(2E)-2-[(E)-but-2-enylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135472837) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-[(2E)-2-[(E)-but-2-enylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[(E)-but-2-enylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135472837
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-[(2E)-2-[(E)-but-2-enylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESC/C=C/C=N/Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C9H12N4O/c1-3-4-5-10-13-9-11-7(2)6-8(14)12-9/h3-6H,1-2H3,(H2,11,12,13,14)/b4-3+,10-5+
InChIKeyDMOPQZRNVVEDED-COBAKMAKSA-N
XLogP1.05
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(E)-but-2-enylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[(E)-but-2-enylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135472837) is 2-[(2E)-2-[(E)-but-2-enylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[(E)-but-2-enylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[(E)-but-2-enylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is C/C=C/C=N/Nc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-[(2E)-2-[(E)-but-2-enylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is DMOPQZRNVVEDED-COBAKMAKSA-N. The full InChI is InChI=1S/C9H12N4O/c1-3-4-5-10-13-9-11-7(2)6-8(14)12-9/h3-6H,1-2H3,(H2,11,12,13,14)/b4-3+,10-5+.
What are the key properties of 2-[(2E)-2-[(E)-but-2-enylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-[(E)-but-2-enylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 192.22 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(E)-but-2-enylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135472837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).