N-(4-aminobutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide

C9H14N4O2 — CID 103942956

IUPACN-(4-aminobutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(CCN)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H14N4O2/c1-6(4-5-10)11-9(15)7-2-3-8(14)13-12-7/h2-3,6H,4-5,10H2,1H3,(H,11,15)(H,13,14)
InChIKeyKBSSLCJLOJSGSL-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.76
Rot. Bonds4

About N-(4-aminobutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide

N-(4-aminobutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 103942956) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID103942956
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-(4-aminobutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(CCN)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H14N4O2/c1-6(4-5-10)11-9(15)7-2-3-8(14)13-12-7/h2-3,6H,4-5,10H2,1H3,(H,11,15)(H,13,14)
InChIKeyKBSSLCJLOJSGSL-UHFFFAOYSA-N
XLogP-0.76
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 47210931
N-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42893197
N-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 94198841
N-(4-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 115735908
N-(1-cyanoethyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 82281497
6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide
CID 30539711
N-[1-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42886245
2-[1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380210
N-[(1S)-1-naphthalen-2-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38619235
6-oxo-N-[(1R)-1-phenylhexyl]-1H-pyridazine-3-carboxamide
CID 95153673
N-[(1R)-1-(3,4-dichlorophenyl)butyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 95346590
6-oxo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1H-pyridazine-3-carboxamide
CID 37203450

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4-aminobutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (CID 103942956) is N-(4-aminobutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is CC(CCN)NC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(4-aminobutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is KBSSLCJLOJSGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6(4-5-10)11-9(15)7-2-3-8(14)13-12-7/h2-3,6H,4-5,10H2,1H3,(H,11,15)(H,13,14).
What are the key properties of N-(4-aminobutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(4-aminobutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 210.24 g/mol, XLogP of -0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103942956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).