1-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]-3-phenylurea

C18H17N5O2 — CID 42143489

IUPAC1-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]-3-phenylurea
SMILESO=C(NCCn1nc(-c2ccncc2)ccc1=O)Nc1ccccc1
InChIInChI=1S/C18H17N5O2/c24-17-7-6-16(14-8-10-19-11-9-14)22-23(17)13-12-20-18(25)21-15-4-2-1-3-5-15/h1-11H,12-13H2,(H2,20,21,25)
InChIKeyCPVGHKCRBSOQQQ-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.13
Rot. Bonds5

About 1-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]-3-phenylurea

1-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]-3-phenylurea (PubChem CID 42143489) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 1-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]-3-phenylurea
PubChem CID42143489
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name1-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]-3-phenylurea
SMILESO=C(NCCn1nc(-c2ccncc2)ccc1=O)Nc1ccccc1
InChIInChI=1S/C18H17N5O2/c24-17-7-6-16(14-8-10-19-11-9-14)22-23(17)13-12-20-18(25)21-15-4-2-1-3-5-15/h1-11H,12-13H2,(H2,20,21,25)
InChIKeyCPVGHKCRBSOQQQ-UHFFFAOYSA-N
XLogP2.13
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]-3-phenylurea (CID 42143489) is 1-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]-3-phenylurea is O=C(NCCn1nc(-c2ccncc2)ccc1=O)Nc1ccccc1.
What is the InChIKey of 1-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]-3-phenylurea?
The InChIKey is CPVGHKCRBSOQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-17-7-6-16(14-8-10-19-11-9-14)22-23(17)13-12-20-18(25)21-15-4-2-1-3-5-15/h1-11H,12-13H2,(H2,20,21,25).
What are the key properties of 1-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]-3-phenylurea?
1-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]-3-phenylurea has a molecular weight of 335.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]-3-phenylurea is sourced from PubChem (CID 42143489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).