N-[2-(4-hydroxyphenyl)ethyl]pyridazine-4-carboxamide

C13H13N3O2 — CID 112705413

IUPACN-[2-(4-hydroxyphenyl)ethyl]pyridazine-4-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1ccnnc1
InChIInChI=1S/C13H13N3O2/c17-12-3-1-10(2-4-12)5-7-14-13(18)11-6-8-15-16-9-11/h1-4,6,8-9,17H,5,7H2,(H,14,18)
InChIKeyKBUQUGBAISUOQE-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.15
Rot. Bonds4

About N-[2-(4-hydroxyphenyl)ethyl]pyridazine-4-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]pyridazine-4-carboxamide (PubChem CID 112705413) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]pyridazine-4-carboxamide
PubChem CID112705413
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]pyridazine-4-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1ccnnc1
InChIInChI=1S/C13H13N3O2/c17-12-3-1-10(2-4-12)5-7-14-13(18)11-6-8-15-16-9-11/h1-4,6,8-9,17H,5,7H2,(H,14,18)
InChIKeyKBUQUGBAISUOQE-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]pyridazine-4-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]pyridazine-4-carboxamide (CID 112705413) is N-[2-(4-hydroxyphenyl)ethyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]pyridazine-4-carboxamide is O=C(NCCc1ccc(O)cc1)c1ccnnc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]pyridazine-4-carboxamide?
The InChIKey is KBUQUGBAISUOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-12-3-1-10(2-4-12)5-7-14-13(18)11-6-8-15-16-9-11/h1-4,6,8-9,17H,5,7H2,(H,14,18).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]pyridazine-4-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]pyridazine-4-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]pyridazine-4-carboxamide is sourced from PubChem (CID 112705413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).