N-(2-hydroxy-1-phenylethyl)pyridazine-4-carboxamide

C13H13N3O2 — CID 113356437

IUPACN-(2-hydroxy-1-phenylethyl)pyridazine-4-carboxamide
SMILESO=C(NC(CO)c1ccccc1)c1ccnnc1
InChIInChI=1S/C13H13N3O2/c17-9-12(10-4-2-1-3-5-10)16-13(18)11-6-7-14-15-8-11/h1-8,12,17H,9H2,(H,16,18)
InChIKeyTYFVSIKNWJTXBP-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.94
Rot. Bonds4

About N-(2-hydroxy-1-phenylethyl)pyridazine-4-carboxamide

N-(2-hydroxy-1-phenylethyl)pyridazine-4-carboxamide (PubChem CID 113356437) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)pyridazine-4-carboxamide
PubChem CID113356437
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(2-hydroxy-1-phenylethyl)pyridazine-4-carboxamide
SMILESO=C(NC(CO)c1ccccc1)c1ccnnc1
InChIInChI=1S/C13H13N3O2/c17-9-12(10-4-2-1-3-5-10)16-13(18)11-6-7-14-15-8-11/h1-8,12,17H,9H2,(H,16,18)
InChIKeyTYFVSIKNWJTXBP-UHFFFAOYSA-N
XLogP0.94
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide
CID 113356455
N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]pyridazine-4-carboxamide
CID 154759427
2-fluoro-N-(2-hydroxy-1-phenylethyl)pyridine-4-carboxamide
CID 63183562
3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid
CID 115909603
2-(aminomethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 104860738
4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide
CID 63182176
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
4-(hydroxymethyl)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182295

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)pyridazine-4-carboxamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)pyridazine-4-carboxamide (CID 113356437) is N-(2-hydroxy-1-phenylethyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)pyridazine-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)pyridazine-4-carboxamide is O=C(NC(CO)c1ccccc1)c1ccnnc1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)pyridazine-4-carboxamide?
The InChIKey is TYFVSIKNWJTXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-9-12(10-4-2-1-3-5-10)16-13(18)11-6-7-14-15-8-11/h1-8,12,17H,9H2,(H,16,18).
What are the key properties of N-(2-hydroxy-1-phenylethyl)pyridazine-4-carboxamide?
N-(2-hydroxy-1-phenylethyl)pyridazine-4-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 113356437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).