3-amino-N-pyridazin-3-ylbutanamide

C8H12N4O — CID 126973262

IUPAC3-amino-N-pyridazin-3-ylbutanamide
SMILESCC(N)CC(=O)Nc1cccnn1
InChIInChI=1S/C8H12N4O/c1-6(9)5-8(13)11-7-3-2-4-10-12-7/h2-4,6H,5,9H2,1H3,(H,11,12,13)
InChIKeyGQVYSVOZHGEZGT-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.15
Rot. Bonds3

About 3-amino-N-pyridazin-3-ylbutanamide

3-amino-N-pyridazin-3-ylbutanamide (PubChem CID 126973262) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-amino-N-pyridazin-3-ylbutanamide.

Molecular Properties

Compound Name3-amino-N-pyridazin-3-ylbutanamide
PubChem CID126973262
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name3-amino-N-pyridazin-3-ylbutanamide
SMILESCC(N)CC(=O)Nc1cccnn1
InChIInChI=1S/C8H12N4O/c1-6(9)5-8(13)11-7-3-2-4-10-12-7/h2-4,6H,5,9H2,1H3,(H,11,12,13)
InChIKeyGQVYSVOZHGEZGT-UHFFFAOYSA-N
XLogP0.15
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-pyridazin-3-ylpropanamide
CID 126995895
2-methylpropyl N-pyridazin-3-ylcarbamate
CID 68882705
pyridazin-3-ylurea
CID 13080987
ethyl 2-amino-3-oxo-3-(pyridazin-3-ylamino)propanoate
CID 116786842
2,2-dimethyl-4-oxo-4-(pyridazin-3-ylamino)butanoic acid
CID 116786342
3-amino-N-(4-methyl-2-pyridinyl)butanamide
CID 83618224
(2S)-2-amino-4-phenyl-N-pyridazin-3-ylbutanamide
CID 104984888
3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459
2-anilino-N-pyridazin-3-ylacetamide
CID 116786848
5-chloro-N-pyridazin-3-ylpentanamide
CID 116786504
2-(4-carbamothioylphenyl)-N-pyridazin-3-ylacetamide
CID 116787129
3-amino-N-(2-pyrazol-1-ylphenyl)butanamide
CID 60837811

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-pyridazin-3-ylbutanamide?
The IUPAC name of 3-amino-N-pyridazin-3-ylbutanamide (CID 126973262) is 3-amino-N-pyridazin-3-ylbutanamide.
What is the SMILES notation for 3-amino-N-pyridazin-3-ylbutanamide?
The canonical SMILES for 3-amino-N-pyridazin-3-ylbutanamide is CC(N)CC(=O)Nc1cccnn1.
What is the InChIKey of 3-amino-N-pyridazin-3-ylbutanamide?
The InChIKey is GQVYSVOZHGEZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-6(9)5-8(13)11-7-3-2-4-10-12-7/h2-4,6H,5,9H2,1H3,(H,11,12,13).
What are the key properties of 3-amino-N-pyridazin-3-ylbutanamide?
3-amino-N-pyridazin-3-ylbutanamide has a molecular weight of 180.21 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-pyridazin-3-ylbutanamide is sourced from PubChem (CID 126973262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).