N-[(3-hydroxyphenyl)methyl]pyridazine-4-carboxamide

C12H11N3O2 — CID 112705412

IUPACN-[(3-hydroxyphenyl)methyl]pyridazine-4-carboxamide
SMILESO=C(NCc1cccc(O)c1)c1ccnnc1
InChIInChI=1S/C12H11N3O2/c16-11-3-1-2-9(6-11)7-13-12(17)10-4-5-14-15-8-10/h1-6,8,16H,7H2,(H,13,17)
InChIKeyGKLLFMVDCZRORM-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.11
Rot. Bonds3

About N-[(3-hydroxyphenyl)methyl]pyridazine-4-carboxamide

N-[(3-hydroxyphenyl)methyl]pyridazine-4-carboxamide (PubChem CID 112705412) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]pyridazine-4-carboxamide
PubChem CID112705412
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC NameN-[(3-hydroxyphenyl)methyl]pyridazine-4-carboxamide
SMILESO=C(NCc1cccc(O)c1)c1ccnnc1
InChIInChI=1S/C12H11N3O2/c16-11-3-1-2-9(6-11)7-13-12(17)10-4-5-14-15-8-10/h1-6,8,16H,7H2,(H,13,17)
InChIKeyGKLLFMVDCZRORM-UHFFFAOYSA-N
XLogP1.11
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyridazine-4-carboxamide
CID 137306340
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]pyridazine-4-carboxamide
CID 137317379
N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 47292120
N-(4-tert-butyl-2-hydroxyphenyl)pyridazine-4-carboxamide
CID 136540655
N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyridazine-4-carboxamide
CID 109500208
N-[2-(4-fluorophenyl)-2-hydroxypropyl]pyridazine-4-carboxamide
CID 109882868
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pyridazine-4-carboxamide
CID 112350281
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]pyridazine-4-carboxamide
CID 112350316
N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyridazine-4-carboxamide
CID 112350338
N-(2-fluoro-4-hydroxyphenyl)pyridazine-4-carboxamide
CID 136808408
N-(3-fluoro-4-hydroxyphenyl)pyridazine-4-carboxamide
CID 136905893
N-{[1-(3-hydroxybenzyl)piperidin-3-yl]methyl}pyridazine-3-carboxamide
CID 56706938

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]pyridazine-4-carboxamide (CID 112705412) is N-[(3-hydroxyphenyl)methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]pyridazine-4-carboxamide is O=C(NCc1cccc(O)c1)c1ccnnc1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]pyridazine-4-carboxamide?
The InChIKey is GKLLFMVDCZRORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-11-3-1-2-9(6-11)7-13-12(17)10-4-5-14-15-8-10/h1-6,8,16H,7H2,(H,13,17).
What are the key properties of N-[(3-hydroxyphenyl)methyl]pyridazine-4-carboxamide?
N-[(3-hydroxyphenyl)methyl]pyridazine-4-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 112705412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).