1-butyl-N,N-dimethyl-6-oxopyridazine-3-carboxamide

C11H17N3O2 — CID 12758400

IUPAC1-butyl-N,N-dimethyl-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)N(C)C)ccc1=O
InChIInChI=1S/C11H17N3O2/c1-4-5-8-14-10(15)7-6-9(12-14)11(16)13(2)3/h6-7H,4-5,8H2,1-3H3
InChIKeyCMUMKGHUMYGOBI-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.75
Rot. Bonds4

About 1-butyl-N,N-dimethyl-6-oxopyridazine-3-carboxamide

1-butyl-N,N-dimethyl-6-oxopyridazine-3-carboxamide (PubChem CID 12758400) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-butyl-N,N-dimethyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N,N-dimethyl-6-oxopyridazine-3-carboxamide
PubChem CID12758400
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-butyl-N,N-dimethyl-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)N(C)C)ccc1=O
InChIInChI=1S/C11H17N3O2/c1-4-5-8-14-10(15)7-6-9(12-14)11(16)13(2)3/h6-7H,4-5,8H2,1-3H3
InChIKeyCMUMKGHUMYGOBI-UHFFFAOYSA-N
XLogP0.75
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N,N-dimethyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N,N-dimethyl-6-oxopyridazine-3-carboxamide (CID 12758400) is 1-butyl-N,N-dimethyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N,N-dimethyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N,N-dimethyl-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)N(C)C)ccc1=O.
What is the InChIKey of 1-butyl-N,N-dimethyl-6-oxopyridazine-3-carboxamide?
The InChIKey is CMUMKGHUMYGOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-5-8-14-10(15)7-6-9(12-14)11(16)13(2)3/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 1-butyl-N,N-dimethyl-6-oxopyridazine-3-carboxamide?
1-butyl-N,N-dimethyl-6-oxopyridazine-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N,N-dimethyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 12758400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).