2-methyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide

C9H13N3O2 — CID 58988011

IUPAC2-methyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnn(C)c1=O
InChIInChI=1S/C9H13N3O2/c1-6(2)11-8(13)7-4-5-10-12(3)9(7)14/h4-6H,1-3H3,(H,11,13)
InChIKeyDCPFVTXQIVOSBU-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.08
Rot. Bonds2

About 2-methyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide

2-methyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide (PubChem CID 58988011) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide
PubChem CID58988011
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-methyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnn(C)c1=O
InChIInChI=1S/C9H13N3O2/c1-6(2)11-8(13)7-4-5-10-12(3)9(7)14/h4-6H,1-3H3,(H,11,13)
InChIKeyDCPFVTXQIVOSBU-UHFFFAOYSA-N
XLogP-0.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide (CID 58988011) is 2-methyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide is CC(C)NC(=O)c1ccnn(C)c1=O.
What is the InChIKey of 2-methyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide?
The InChIKey is DCPFVTXQIVOSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(2)11-8(13)7-4-5-10-12(3)9(7)14/h4-6H,1-3H3,(H,11,13).
What are the key properties of 2-methyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide?
2-methyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide has a molecular weight of 195.22 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide is sourced from PubChem (CID 58988011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).