N-butan-2-ylpyridazine-3-carboxamide

C9H13N3O — CID 110848472

IUPACN-butan-2-ylpyridazine-3-carboxamide
SMILESCCC(C)NC(=O)c1cccnn1
InChIInChI=1S/C9H13N3O/c1-3-7(2)11-9(13)8-5-4-6-10-12-8/h4-7H,3H2,1-2H3,(H,11,13)
InChIKeyBPGVTTOGNMJLQD-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.00
Rot. Bonds3

About N-butan-2-ylpyridazine-3-carboxamide

N-butan-2-ylpyridazine-3-carboxamide (PubChem CID 110848472) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-butan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-ylpyridazine-3-carboxamide
PubChem CID110848472
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-butan-2-ylpyridazine-3-carboxamide
SMILESCCC(C)NC(=O)c1cccnn1
InChIInChI=1S/C9H13N3O/c1-3-7(2)11-9(13)8-5-4-6-10-12-8/h4-7H,3H2,1-2H3,(H,11,13)
InChIKeyBPGVTTOGNMJLQD-UHFFFAOYSA-N
XLogP1.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-6-methoxypyridine-2-carboxamide
CID 110848498
N-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828
N-butan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62241135
6-N-butan-2-yl-2-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093809
N-pentylpyridazine-3-carboxamide;hydrochloride
CID 143205726
N-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109111701
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 76951882
4-anilino-N-butan-2-ylpyridine-2-carboxamide
CID 109203318
N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide
CID 62171647

Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-butan-2-ylpyridazine-3-carboxamide (CID 110848472) is N-butan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-butan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-butan-2-ylpyridazine-3-carboxamide is CCC(C)NC(=O)c1cccnn1.
What is the InChIKey of N-butan-2-ylpyridazine-3-carboxamide?
The InChIKey is BPGVTTOGNMJLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-3-7(2)11-9(13)8-5-4-6-10-12-8/h4-7H,3H2,1-2H3,(H,11,13).
What are the key properties of N-butan-2-ylpyridazine-3-carboxamide?
N-butan-2-ylpyridazine-3-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 110848472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).