N-[(3-hydroxycyclobutyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide

C11H15N3O3 — CID 66005592

IUPACN-[(3-hydroxycyclobutyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC2CC(O)C2)ccc1=O
InChIInChI=1S/C11H15N3O3/c1-14-10(16)3-2-9(13-14)11(17)12-6-7-4-8(15)5-7/h2-3,7-8,15H,4-6H2,1H3,(H,12,17)
InChIKeyDXALDSFSUBJDIE-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.72
Rot. Bonds3

About N-[(3-hydroxycyclobutyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[(3-hydroxycyclobutyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 66005592) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID66005592
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC2CC(O)C2)ccc1=O
InChIInChI=1S/C11H15N3O3/c1-14-10(16)3-2-9(13-14)11(17)12-6-7-4-8(15)5-7/h2-3,7-8,15H,4-6H2,1H3,(H,12,17)
InChIKeyDXALDSFSUBJDIE-UHFFFAOYSA-N
XLogP-0.72
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-6-oxo-N-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]pyridazine-3-carboxamide
CID 125169038
4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 43091994
N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 81041108
1-methyl-6-oxo-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]pyridazine-3-carboxamide
CID 98135028
1-methyl-6-oxo-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyridazine-3-carboxamide
CID 129330547
N-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide
CID 66005550
N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185
N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 66176866
1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 42161813
1-(2-aminoethyl)-N-[(3-hydroxycyclobutyl)methyl]triazole-4-carboxamide
CID 66004025
2-[[(1-methyl-6-oxopyridazine-3-carbonyl)amino]methyl]butanoic acid
CID 65219750
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 47082065

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 66005592) is N-[(3-hydroxycyclobutyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NCC2CC(O)C2)ccc1=O.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is DXALDSFSUBJDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-14-10(16)3-2-9(13-14)11(17)12-6-7-4-8(15)5-7/h2-3,7-8,15H,4-6H2,1H3,(H,12,17).
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[(3-hydroxycyclobutyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 66005592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).