N-[2-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridazine-3-carboxamide

C11H15N3O3 — CID 113259272

IUPACN-[2-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC1CCCC1CO)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H15N3O3/c15-6-7-2-1-3-8(7)12-11(17)9-4-5-10(16)14-13-9/h4-5,7-8,15H,1-3,6H2,(H,12,17)(H,14,16)
InChIKeyPZFHYCGSRDMYNL-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.34
Rot. Bonds3

About N-[2-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[2-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 113259272) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID113259272
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC1CCCC1CO)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H15N3O3/c15-6-7-2-1-3-8(7)12-11(17)9-4-5-10(16)14-13-9/h4-5,7-8,15H,1-3,6H2,(H,12,17)(H,14,16)
InChIKeyPZFHYCGSRDMYNL-UHFFFAOYSA-N
XLogP-0.34
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-N-(2-propylcyclopropyl)-1H-pyridazine-3-carboxamide
CID 103713586
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
N-[2-(hydroxymethyl)cyclohexyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136794910
3-amino-N-[2-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazole-5-carboxamide
CID 106361251
N-cyclopent-3-en-1-yl-6-oxo-1H-pyridazine-3-carboxamide
CID 103762323
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858
N-[2-(hydroxymethyl)cyclohexyl]-2-methyltriazole-4-carboxamide
CID 114284665
N-[2-(hydroxymethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 103860508
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide
CID 103805411
N-[2-(aminomethyl)cyclopentyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119600794
1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide
CID 106361221

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 113259272) is N-[2-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NC1CCCC1CO)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is PZFHYCGSRDMYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-6-7-2-1-3-8(7)12-11(17)9-4-5-10(16)14-13-9/h4-5,7-8,15H,1-3,6H2,(H,12,17)(H,14,16).
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 113259272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).