N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide

C12H18N4O2 — CID 113230900

IUPACN-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(CNC(=O)c1ccc(=O)[nH]n1)N(C)C1CC1
InChIInChI=1S/C12H18N4O2/c1-8(16(2)9-3-4-9)7-13-12(18)10-5-6-11(17)15-14-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,18)(H,15,17)
InChIKeyWLKZTKFNHDINHD-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.02
Rot. Bonds5

About N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 113230900) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID113230900
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(CNC(=O)c1ccc(=O)[nH]n1)N(C)C1CC1
InChIInChI=1S/C12H18N4O2/c1-8(16(2)9-3-4-9)7-13-12(18)10-5-6-11(17)15-14-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,18)(H,15,17)
InChIKeyWLKZTKFNHDINHD-UHFFFAOYSA-N
XLogP-0.02
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 1932907
N-isopropyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443181
N-[2-(dimethylamino)ethyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443194
2-Butyl-6-(3-oxopiperazine-1-carbonyl)pyridazin-3-one
CID 31095761
N-[(2S)-3-methylbutan-2-yl]-6-oxo-N-prop-2-enyl-1H-pyridazine-3-carboxamide
CID 40151649
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 45893393
(2S)-2-[[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]amino]propanamide
CID 129531435
6-oxo-N-(4,4,4-trifluorobutan-2-yl)-1H-pyridazine-3-carboxamide
CID 104854846
N-cyclopropyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridazine-3-carboxamide
CID 108113600
N-(2-aminoethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridazine-3-carboxamide
CID 108114651
6-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108537668
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114041040

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 113230900) is N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide is CC(CNC(=O)c1ccc(=O)[nH]n1)N(C)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is WLKZTKFNHDINHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8(16(2)9-3-4-9)7-13-12(18)10-5-6-11(17)15-14-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,18)(H,15,17).
What are the key properties of N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 113230900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).