1-(6-chloropyridazin-4-yl)-3-propan-2-ylurea

C8H11ClN4O — CID 14099146

IUPAC1-(6-chloropyridazin-4-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1cnnc(Cl)c1
InChIInChI=1S/C8H11ClN4O/c1-5(2)11-8(14)12-6-3-7(9)13-10-4-6/h3-5H,1-2H3,(H2,11,12,13,14)
InChIKeyBAWCKBROLSZEGF-UHFFFAOYSA-N
MW214.66 g/mol
LogP1.66
Rot. Bonds2

About 1-(6-chloropyridazin-4-yl)-3-propan-2-ylurea

1-(6-chloropyridazin-4-yl)-3-propan-2-ylurea (PubChem CID 14099146) has the molecular formula C8H11ClN4O and a molecular weight of 214.66 g/mol. Its IUPAC name is 1-(6-chloropyridazin-4-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(6-chloropyridazin-4-yl)-3-propan-2-ylurea
PubChem CID14099146
Molecular FormulaC8H11ClN4O
Molecular Weight214.66 g/mol
Exact Mass214.06
IUPAC Name1-(6-chloropyridazin-4-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1cnnc(Cl)c1
InChIInChI=1S/C8H11ClN4O/c1-5(2)11-8(14)12-6-3-7(9)13-10-4-6/h3-5H,1-2H3,(H2,11,12,13,14)
InChIKeyBAWCKBROLSZEGF-UHFFFAOYSA-N
XLogP1.66
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-4-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(6-chloropyridazin-4-yl)-3-propan-2-ylurea (CID 14099146) is 1-(6-chloropyridazin-4-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(6-chloropyridazin-4-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(6-chloropyridazin-4-yl)-3-propan-2-ylurea is CC(C)NC(=O)Nc1cnnc(Cl)c1.
What is the InChIKey of 1-(6-chloropyridazin-4-yl)-3-propan-2-ylurea?
The InChIKey is BAWCKBROLSZEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O/c1-5(2)11-8(14)12-6-3-7(9)13-10-4-6/h3-5H,1-2H3,(H2,11,12,13,14).
What are the key properties of 1-(6-chloropyridazin-4-yl)-3-propan-2-ylurea?
1-(6-chloropyridazin-4-yl)-3-propan-2-ylurea has a molecular weight of 214.66 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-4-yl)-3-propan-2-ylurea is sourced from PubChem (CID 14099146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).