N-cycloheptyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C12H19N3O2 — CID 5095057

IUPACN-cycloheptyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NC2CCCCCC2)=NN1
InChIInChI=1S/C12H19N3O2/c16-11-8-7-10(14-15-11)12(17)13-9-5-3-1-2-4-6-9/h9H,1-8H2,(H,13,17)(H,15,16)
InChIKeyDAOAYGSWDSQICA-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.09
Rot. Bonds2

About N-cycloheptyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-cycloheptyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 5095057) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-cycloheptyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID5095057
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-cycloheptyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NC2CCCCCC2)=NN1
InChIInChI=1S/C12H19N3O2/c16-11-8-7-10(14-15-11)12(17)13-9-5-3-1-2-4-6-9/h9H,1-8H2,(H,13,17)(H,15,16)
InChIKeyDAOAYGSWDSQICA-UHFFFAOYSA-N
XLogP1.09
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-cycloheptyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 5095057) is N-cycloheptyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NC2CCCCCC2)=NN1.
What is the InChIKey of N-cycloheptyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is DAOAYGSWDSQICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-11-8-7-10(14-15-11)12(17)13-9-5-3-1-2-4-6-9/h9H,1-8H2,(H,13,17)(H,15,16).
What are the key properties of N-cycloheptyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-cycloheptyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.09, 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-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 5095057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).