N-cycloheptyl-6-oxo-1H-pyridazine-3-carboxamide

C12H17N3O2 — CID 940468

IUPACN-cycloheptyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H17N3O2/c16-11-8-7-10(14-15-11)12(17)13-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,13,17)(H,15,16)
InChIKeyNVQLPKGVZUJTEF-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.22
Rot. Bonds2

About N-cycloheptyl-6-oxo-1H-pyridazine-3-carboxamide

N-cycloheptyl-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 940468) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-cycloheptyl-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID940468
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-cycloheptyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H17N3O2/c16-11-8-7-10(14-15-11)12(17)13-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,13,17)(H,15,16)
InChIKeyNVQLPKGVZUJTEF-UHFFFAOYSA-N
XLogP1.22
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 2574206
3-(2-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 4369642
6-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-1H-pyridazine-3-carboxamide
CID 47189479
N-cyclopentyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 9168301
N-cycloheptyl-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 45885517
N-((1r,4r)-4-aminocyclohexyl)-6-hydroxypyridazine-3-carboxamide
CID 103806098
N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-6-hydroxypyridazine-3-carboxamide
CID 132228019
6-oxo-N-(5,5,5-trifluoropentyl)-1H-pyridazine-3-carboxamide
CID 113322123
1-ethyl-N-[(1S,2R)-2-fluorocyclopentyl]-6-oxopyridazine-3-carboxamide
CID 137981273
N-cyclohexyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 945292
N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 34742195
N-(1-cycloheptyl-3-piperidinyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxamide
CID 45220484

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-cycloheptyl-6-oxo-1H-pyridazine-3-carboxamide (CID 940468) is N-cycloheptyl-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-6-oxo-1H-pyridazine-3-carboxamide is O=C(NC1CCCCCC1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-cycloheptyl-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is NVQLPKGVZUJTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-11-8-7-10(14-15-11)12(17)13-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,13,17)(H,15,16).
What are the key properties of N-cycloheptyl-6-oxo-1H-pyridazine-3-carboxamide?
N-cycloheptyl-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 940468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).