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

C11H15N3O3 — CID 113344802

IUPACN-[1-(hydroxymethyl)cyclobutyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2(CO)CCC2)ccc1=O
InChIInChI=1S/C11H15N3O3/c1-14-9(16)4-3-8(13-14)10(17)12-11(7-15)5-2-6-11/h3-4,15H,2,5-7H2,1H3,(H,12,17)
InChIKeyLQPDDCFXNWKBRG-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.57
Rot. Bonds3

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

N-[1-(hydroxymethyl)cyclobutyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 113344802) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID113344802
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2(CO)CCC2)ccc1=O
InChIInChI=1S/C11H15N3O3/c1-14-9(16)4-3-8(13-14)10(17)12-11(7-15)5-2-6-11/h3-4,15H,2,5-7H2,1H3,(H,12,17)
InChIKeyLQPDDCFXNWKBRG-UHFFFAOYSA-N
XLogP-0.57
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 ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55082531
N-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103954300
1-butyl-N-[1-(hydroxymethyl)cyclobutyl]-6-oxopyridazine-3-carboxamide
CID 115877901
N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62517563
N-[1-(hydroxymethyl)cyclohexyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62519875
N-[1-(hydroxymethyl)cyclobutyl]-1-methylimidazole-4-carboxamide
CID 103881180
N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide
CID 103881085
N-[4-(hydroxymethyl)oxan-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 103954223
2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545640
3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 64889001
N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 81041108
N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 62517382

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 113344802) is N-[1-(hydroxymethyl)cyclobutyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NC2(CO)CCC2)ccc1=O.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is LQPDDCFXNWKBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-14-9(16)4-3-8(13-14)10(17)12-11(7-15)5-2-6-11/h3-4,15H,2,5-7H2,1H3,(H,12,17).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[1-(hydroxymethyl)cyclobutyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 113344802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).