N,N-diethylpyridazine-3-carboxamide

C9H13N3O — CID 110855157

IUPACN,N-diethylpyridazine-3-carboxamide
SMILESCCN(CC)C(=O)c1cccnn1
InChIInChI=1S/C9H13N3O/c1-3-12(4-2)9(13)8-6-5-7-10-11-8/h5-7H,3-4H2,1-2H3
InChIKeyXEBDXFYRLTXZSG-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.96
Rot. Bonds3

About N,N-diethylpyridazine-3-carboxamide

N,N-diethylpyridazine-3-carboxamide (PubChem CID 110855157) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N,N-diethylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethylpyridazine-3-carboxamide
PubChem CID110855157
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN,N-diethylpyridazine-3-carboxamide
SMILESCCN(CC)C(=O)c1cccnn1
InChIInChI=1S/C9H13N3O/c1-3-12(4-2)9(13)8-6-5-7-10-11-8/h5-7H,3-4H2,1-2H3
InChIKeyXEBDXFYRLTXZSG-UHFFFAOYSA-N
XLogP0.96
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylpyridazine-3-carboxamide?
The IUPAC name of N,N-diethylpyridazine-3-carboxamide (CID 110855157) is N,N-diethylpyridazine-3-carboxamide.
What is the SMILES notation for N,N-diethylpyridazine-3-carboxamide?
The canonical SMILES for N,N-diethylpyridazine-3-carboxamide is CCN(CC)C(=O)c1cccnn1.
What is the InChIKey of N,N-diethylpyridazine-3-carboxamide?
The InChIKey is XEBDXFYRLTXZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-3-12(4-2)9(13)8-6-5-7-10-11-8/h5-7H,3-4H2,1-2H3.
What are the key properties of N,N-diethylpyridazine-3-carboxamide?
N,N-diethylpyridazine-3-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylpyridazine-3-carboxamide is sourced from PubChem (CID 110855157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).