N-(2-methylpropyl)-6-oxo-1H-pyridazine-5-carboxamide

C9H13N3O2 — CID 123491464

IUPACN-(2-methylpropyl)-6-oxo-1H-pyridazine-5-carboxamide
SMILESCC(C)CNC(=O)c1ccn[nH]c1=O
InChIInChI=1S/C9H13N3O2/c1-6(2)5-10-8(13)7-3-4-11-12-9(7)14/h3-4,6H,5H2,1-2H3,(H,10,13)(H,12,14)
InChIKeyYJQOJOFTDHAGSX-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.16
Rot. Bonds3

About N-(2-methylpropyl)-6-oxo-1H-pyridazine-5-carboxamide

N-(2-methylpropyl)-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 123491464) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID123491464
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-(2-methylpropyl)-6-oxo-1H-pyridazine-5-carboxamide
SMILESCC(C)CNC(=O)c1ccn[nH]c1=O
InChIInChI=1S/C9H13N3O2/c1-6(2)5-10-8(13)7-3-4-11-12-9(7)14/h3-4,6H,5H2,1-2H3,(H,10,13)(H,12,14)
InChIKeyYJQOJOFTDHAGSX-UHFFFAOYSA-N
XLogP0.16
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of N-(2-methylpropyl)-6-oxo-1H-pyridazine-5-carboxamide (CID 123491464) is N-(2-methylpropyl)-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-6-oxo-1H-pyridazine-5-carboxamide is CC(C)CNC(=O)c1ccn[nH]c1=O.
What is the InChIKey of N-(2-methylpropyl)-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is YJQOJOFTDHAGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(2)5-10-8(13)7-3-4-11-12-9(7)14/h3-4,6H,5H2,1-2H3,(H,10,13)(H,12,14).
What are the key properties of N-(2-methylpropyl)-6-oxo-1H-pyridazine-5-carboxamide?
N-(2-methylpropyl)-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 123491464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).