2-cyano-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide

C8H9N5O2 — CID 154883910

IUPAC2-cyano-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide
SMILESCc1cc(=O)[nH]c(NNC(=O)CC#N)n1
InChIInChI=1S/C8H9N5O2/c1-5-4-7(15)11-8(10-5)13-12-6(14)2-3-9/h4H,2H2,1H3,(H,12,14)(H2,10,11,13,15)
InChIKeyZVJLJPZFRUJXGS-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.56
Rot. Bonds3

About 2-cyano-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide

2-cyano-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide (PubChem CID 154883910) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-cyano-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide.

Molecular Properties

Compound Name2-cyano-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide
PubChem CID154883910
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name2-cyano-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide
SMILESCc1cc(=O)[nH]c(NNC(=O)CC#N)n1
InChIInChI=1S/C8H9N5O2/c1-5-4-7(15)11-8(10-5)13-12-6(14)2-3-9/h4H,2H2,1H3,(H,12,14)(H2,10,11,13,15)
InChIKeyZVJLJPZFRUJXGS-UHFFFAOYSA-N
XLogP-0.56
TPSA110.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide?
The IUPAC name of 2-cyano-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide (CID 154883910) is 2-cyano-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide.
What is the SMILES notation for 2-cyano-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide?
The canonical SMILES for 2-cyano-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide is Cc1cc(=O)[nH]c(NNC(=O)CC#N)n1.
What is the InChIKey of 2-cyano-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide?
The InChIKey is ZVJLJPZFRUJXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-5-4-7(15)11-8(10-5)13-12-6(14)2-3-9/h4H,2H2,1H3,(H,12,14)(H2,10,11,13,15).
What are the key properties of 2-cyano-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide?
2-cyano-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide has a molecular weight of 207.19 g/mol, XLogP of -0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide is sourced from PubChem (CID 154883910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).