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

C12H17N3O3 — CID 55082531

IUPACN-[1-(hydroxymethyl)cyclopentyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2(CO)CCCC2)ccc1=O
InChIInChI=1S/C12H17N3O3/c1-15-10(17)5-4-9(14-15)11(18)13-12(8-16)6-2-3-7-12/h4-5,16H,2-3,6-8H2,1H3,(H,13,18)
InChIKeyGZWAMOQBRQMVNR-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.18
Rot. Bonds3

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

N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 55082531) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID55082531
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2(CO)CCCC2)ccc1=O
InChIInChI=1S/C12H17N3O3/c1-15-10(17)5-4-9(14-15)11(18)13-12(8-16)6-2-3-7-12/h4-5,16H,2-3,6-8H2,1H3,(H,13,18)
InChIKeyGZWAMOQBRQMVNR-UHFFFAOYSA-N
XLogP-0.18
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 113344802
N-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103954300
N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62517563
N-[1-(hydroxymethyl)cyclohexyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62519875
1-butyl-N-[1-(hydroxymethyl)cyclobutyl]-6-oxopyridazine-3-carboxamide
CID 115877901
2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545640
N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide
CID 103881085
N-[4-(hydroxymethyl)oxan-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 103954223
N-[1-(hydroxymethyl)cyclobutyl]-1-methylimidazole-4-carboxamide
CID 103881180
3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 64889001
N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 62517382
N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-carboxamide
CID 110008429

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 55082531) is N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NC2(CO)CCCC2)ccc1=O.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is GZWAMOQBRQMVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15-10(17)5-4-9(14-15)11(18)13-12(8-16)6-2-3-7-12/h4-5,16H,2-3,6-8H2,1H3,(H,13,18).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55082531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).