1-butyl-N-(1-hydroxypropan-2-yl)-6-oxopyridazine-3-carboxamide

C12H19N3O3 — CID 43418979

IUPAC1-butyl-N-(1-hydroxypropan-2-yl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NC(C)CO)ccc1=O
InChIInChI=1S/C12H19N3O3/c1-3-4-7-15-11(17)6-5-10(14-15)12(18)13-9(2)8-16/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,13,18)
InChIKeyDEKPSSVTJNNERI-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.15
Rot. Bonds6

About 1-butyl-N-(1-hydroxypropan-2-yl)-6-oxopyridazine-3-carboxamide

1-butyl-N-(1-hydroxypropan-2-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 43418979) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-butyl-N-(1-hydroxypropan-2-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(1-hydroxypropan-2-yl)-6-oxopyridazine-3-carboxamide
PubChem CID43418979
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-butyl-N-(1-hydroxypropan-2-yl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NC(C)CO)ccc1=O
InChIInChI=1S/C12H19N3O3/c1-3-4-7-15-11(17)6-5-10(14-15)12(18)13-9(2)8-16/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,13,18)
InChIKeyDEKPSSVTJNNERI-UHFFFAOYSA-N
XLogP0.15
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-isopropyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443181
N-(2-methoxyethyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443195
1-butyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723041
6-oxo-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723263
N-(3,3-difluoro-2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 103769855
1-butyl-N-(3,3-difluoro-2-hydroxypropyl)-6-oxopyridazine-3-carboxamide
CID 103769860
N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 103769978
1-butyl-N-(2,2-difluoro-3-hydroxypropyl)-6-oxopyridazine-3-carboxamide
CID 104857417
N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 104857731
N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 104858067
N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 104858281
1-methyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 113248480

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(1-hydroxypropan-2-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(1-hydroxypropan-2-yl)-6-oxopyridazine-3-carboxamide (CID 43418979) is 1-butyl-N-(1-hydroxypropan-2-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(1-hydroxypropan-2-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(1-hydroxypropan-2-yl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NC(C)CO)ccc1=O.
What is the InChIKey of 1-butyl-N-(1-hydroxypropan-2-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is DEKPSSVTJNNERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-4-7-15-11(17)6-5-10(14-15)12(18)13-9(2)8-16/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,13,18).
What are the key properties of 1-butyl-N-(1-hydroxypropan-2-yl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(1-hydroxypropan-2-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(1-hydroxypropan-2-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 43418979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).