N-[3-(cyclopropylamino)-3-oxopropyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C11H16N4O3 — CID 79395899

IUPACN-[3-(cyclopropylamino)-3-oxopropyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCCC(=O)NC2CC2)=NN1
InChIInChI=1S/C11H16N4O3/c16-9(13-7-1-2-7)5-6-12-11(18)8-3-4-10(17)15-14-8/h7H,1-6H2,(H,12,18)(H,13,16)(H,15,17)
InChIKeyIBHAXFBQGJWETQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.96
Rot. Bonds5

About N-[3-(cyclopropylamino)-3-oxopropyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[3-(cyclopropylamino)-3-oxopropyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 79395899) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)-3-oxopropyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)-3-oxopropyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID79395899
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-[3-(cyclopropylamino)-3-oxopropyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCCC(=O)NC2CC2)=NN1
InChIInChI=1S/C11H16N4O3/c16-9(13-7-1-2-7)5-6-12-11(18)8-3-4-10(17)15-14-8/h7H,1-6H2,(H,12,18)(H,13,16)(H,15,17)
InChIKeyIBHAXFBQGJWETQ-UHFFFAOYSA-N
XLogP-0.96
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 4881394
N-(2-cyclopentylethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60734317
N-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 115636652
N-[(4-hydroxycyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 106121339
N-(5-hydroxy-4-methylpentyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 103861422
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide
CID 79400745
N-cyclohexyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467692
N-(1-butylsulfonylpiperidin-4-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110823113
6-oxo-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 113375209
N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 103770322
N-(1-methyl-5-oxopyrrolidin-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110745998
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide
CID 102705738

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)-3-oxopropyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[3-(cyclopropylamino)-3-oxopropyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 79395899) is N-[3-(cyclopropylamino)-3-oxopropyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylamino)-3-oxopropyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[3-(cyclopropylamino)-3-oxopropyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NCCC(=O)NC2CC2)=NN1.
What is the InChIKey of N-[3-(cyclopropylamino)-3-oxopropyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is IBHAXFBQGJWETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-9(13-7-1-2-7)5-6-12-11(18)8-3-4-10(17)15-14-8/h7H,1-6H2,(H,12,18)(H,13,16)(H,15,17).
What are the key properties of N-[3-(cyclopropylamino)-3-oxopropyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[3-(cyclopropylamino)-3-oxopropyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)-3-oxopropyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 79395899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).