N,1-diethyl-6-oxopyridazine-3-carboxamide

C9H13N3O2 — CID 121066863

IUPACN,1-diethyl-6-oxopyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(=O)n(CC)n1
InChIInChI=1S/C9H13N3O2/c1-3-10-9(14)7-5-6-8(13)12(4-2)11-7/h5-6H,3-4H2,1-2H3,(H,10,14)
InChIKeyBHTZKCLJHNLRFI-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.01
Rot. Bonds3

About N,1-diethyl-6-oxopyridazine-3-carboxamide

N,1-diethyl-6-oxopyridazine-3-carboxamide (PubChem CID 121066863) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N,1-diethyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN,1-diethyl-6-oxopyridazine-3-carboxamide
PubChem CID121066863
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN,1-diethyl-6-oxopyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(=O)n(CC)n1
InChIInChI=1S/C9H13N3O2/c1-3-10-9(14)7-5-6-8(13)12(4-2)11-7/h5-6H,3-4H2,1-2H3,(H,10,14)
InChIKeyBHTZKCLJHNLRFI-UHFFFAOYSA-N
XLogP0.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-diethyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N,1-diethyl-6-oxopyridazine-3-carboxamide (CID 121066863) is N,1-diethyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N,1-diethyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N,1-diethyl-6-oxopyridazine-3-carboxamide is CCNC(=O)c1ccc(=O)n(CC)n1.
What is the InChIKey of N,1-diethyl-6-oxopyridazine-3-carboxamide?
The InChIKey is BHTZKCLJHNLRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-3-10-9(14)7-5-6-8(13)12(4-2)11-7/h5-6H,3-4H2,1-2H3,(H,10,14).
What are the key properties of N,1-diethyl-6-oxopyridazine-3-carboxamide?
N,1-diethyl-6-oxopyridazine-3-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 121066863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).