2-hydrazinyl-1-methyl-6-oxo-4-phenylpyrimidine-5-carbonitrile

C12H11N5O — CID 13425044

IUPAC2-hydrazinyl-1-methyl-6-oxo-4-phenylpyrimidine-5-carbonitrile
SMILESCn1c(NN)nc(-c2ccccc2)c(C#N)c1=O
InChIInChI=1S/C12H11N5O/c1-17-11(18)9(7-13)10(15-12(17)16-14)8-5-3-2-4-6-8/h2-6H,14H2,1H3,(H,15,16)
InChIKeyGXCCIDYKVHLTRQ-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.60
Rot. Bonds2

About 2-hydrazinyl-1-methyl-6-oxo-4-phenylpyrimidine-5-carbonitrile

2-hydrazinyl-1-methyl-6-oxo-4-phenylpyrimidine-5-carbonitrile (PubChem CID 13425044) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-hydrazinyl-1-methyl-6-oxo-4-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-hydrazinyl-1-methyl-6-oxo-4-phenylpyrimidine-5-carbonitrile
PubChem CID13425044
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name2-hydrazinyl-1-methyl-6-oxo-4-phenylpyrimidine-5-carbonitrile
SMILESCn1c(NN)nc(-c2ccccc2)c(C#N)c1=O
InChIInChI=1S/C12H11N5O/c1-17-11(18)9(7-13)10(15-12(17)16-14)8-5-3-2-4-6-8/h2-6H,14H2,1H3,(H,15,16)
InChIKeyGXCCIDYKVHLTRQ-UHFFFAOYSA-N
XLogP0.60
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_B(27)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-hydrazinyl-1-methyl-6-oxo-4-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-hydrazinyl-1-methyl-6-oxo-4-phenylpyrimidine-5-carbonitrile (CID 13425044) is 2-hydrazinyl-1-methyl-6-oxo-4-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-hydrazinyl-1-methyl-6-oxo-4-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-hydrazinyl-1-methyl-6-oxo-4-phenylpyrimidine-5-carbonitrile is Cn1c(NN)nc(-c2ccccc2)c(C#N)c1=O.
What is the InChIKey of 2-hydrazinyl-1-methyl-6-oxo-4-phenylpyrimidine-5-carbonitrile?
The InChIKey is GXCCIDYKVHLTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-17-11(18)9(7-13)10(15-12(17)16-14)8-5-3-2-4-6-8/h2-6H,14H2,1H3,(H,15,16).
What are the key properties of 2-hydrazinyl-1-methyl-6-oxo-4-phenylpyrimidine-5-carbonitrile?
2-hydrazinyl-1-methyl-6-oxo-4-phenylpyrimidine-5-carbonitrile has a molecular weight of 241.25 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-1-methyl-6-oxo-4-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 13425044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).