1-(6-methyl-3-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea

C11H11N5O2 — CID 108887535

IUPAC1-(6-methyl-3-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(=O)[nH]n2)cn1
InChIInChI=1S/C11H11N5O2/c1-7-2-3-8(6-12-7)13-11(18)14-9-4-5-10(17)16-15-9/h2-6H,1H3,(H,16,17)(H2,13,14,15,18)
InChIKeyBXWNPFOVSKPPSH-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.12
Rot. Bonds2

About 1-(6-methyl-3-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea

1-(6-methyl-3-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (PubChem CID 108887535) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
PubChem CID108887535
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name1-(6-methyl-3-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(=O)[nH]n2)cn1
InChIInChI=1S/C11H11N5O2/c1-7-2-3-8(6-12-7)13-11(18)14-9-4-5-10(17)16-15-9/h2-6H,1H3,(H,16,17)(H2,13,14,15,18)
InChIKeyBXWNPFOVSKPPSH-UHFFFAOYSA-N
XLogP1.12
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The IUPAC name of 1-(6-methyl-3-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (CID 108887535) is 1-(6-methyl-3-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is Cc1ccc(NC(=O)Nc2ccc(=O)[nH]n2)cn1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The InChIKey is BXWNPFOVSKPPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-7-2-3-8(6-12-7)13-11(18)14-9-4-5-10(17)16-15-9/h2-6H,1H3,(H,16,17)(H2,13,14,15,18).
What are the key properties of 1-(6-methyl-3-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
1-(6-methyl-3-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea has a molecular weight of 245.24 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is sourced from PubChem (CID 108887535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).