N,N-bis(3-methylbutyl)-6-oxo-1H-pyridazine-3-carboxamide

C15H25N3O2 — CID 70971865

IUPACN,N-bis(3-methylbutyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C15H25N3O2/c1-11(2)7-9-18(10-8-12(3)4)15(20)13-5-6-14(19)17-16-13/h5-6,11-12H,7-10H2,1-4H3,(H,17,19)
InChIKeyZRDHAELORKLTFB-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.30
Rot. Bonds7

About N,N-bis(3-methylbutyl)-6-oxo-1H-pyridazine-3-carboxamide

N,N-bis(3-methylbutyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 70971865) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N,N-bis(3-methylbutyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(3-methylbutyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID70971865
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN,N-bis(3-methylbutyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C15H25N3O2/c1-11(2)7-9-18(10-8-12(3)4)15(20)13-5-6-14(19)17-16-13/h5-6,11-12H,7-10H2,1-4H3,(H,17,19)
InChIKeyZRDHAELORKLTFB-UHFFFAOYSA-N
XLogP2.30
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-methylbutyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N,N-bis(3-methylbutyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 70971865) is N,N-bis(3-methylbutyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N,N-bis(3-methylbutyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N,N-bis(3-methylbutyl)-6-oxo-1H-pyridazine-3-carboxamide is CC(C)CCN(CCC(C)C)C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N,N-bis(3-methylbutyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is ZRDHAELORKLTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)7-9-18(10-8-12(3)4)15(20)13-5-6-14(19)17-16-13/h5-6,11-12H,7-10H2,1-4H3,(H,17,19).
What are the key properties of N,N-bis(3-methylbutyl)-6-oxo-1H-pyridazine-3-carboxamide?
N,N-bis(3-methylbutyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-methylbutyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 70971865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).