4-(furan-2-yl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile

C10H9N5O2 — CID 45028806

IUPAC4-(furan-2-yl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile
SMILESCn1c(NN)nc(-c2ccco2)c(C#N)c1=O
InChIInChI=1S/C10H9N5O2/c1-15-9(16)6(5-11)8(13-10(15)14-12)7-3-2-4-17-7/h2-4H,12H2,1H3,(H,13,14)
InChIKeyIOCPSQFTUSZJNM-UHFFFAOYSA-N
MW231.22 g/mol
LogP0.20
Rot. Bonds2

About 4-(furan-2-yl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile

4-(furan-2-yl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile (PubChem CID 45028806) has the molecular formula C10H9N5O2 and a molecular weight of 231.22 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(furan-2-yl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile
PubChem CID45028806
Molecular FormulaC10H9N5O2
Molecular Weight231.22 g/mol
Exact Mass231.08
IUPAC Name4-(furan-2-yl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile
SMILESCn1c(NN)nc(-c2ccco2)c(C#N)c1=O
InChIInChI=1S/C10H9N5O2/c1-15-9(16)6(5-11)8(13-10(15)14-12)7-3-2-4-17-7/h2-4H,12H2,1H3,(H,13,14)
InChIKeyIOCPSQFTUSZJNM-UHFFFAOYSA-N
XLogP0.20
TPSA109.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 4-(furan-2-yl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile?
The IUPAC name of 4-(furan-2-yl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile (CID 45028806) is 4-(furan-2-yl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(furan-2-yl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-(furan-2-yl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile is Cn1c(NN)nc(-c2ccco2)c(C#N)c1=O.
What is the InChIKey of 4-(furan-2-yl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile?
The InChIKey is IOCPSQFTUSZJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2/c1-15-9(16)6(5-11)8(13-10(15)14-12)7-3-2-4-17-7/h2-4H,12H2,1H3,(H,13,14).
What are the key properties of 4-(furan-2-yl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile?
4-(furan-2-yl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile has a molecular weight of 231.22 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile is sourced from PubChem (CID 45028806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).