1-(6-methyl-2-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea

C11H11N5O2 — CID 108887379

IUPAC1-(6-methyl-2-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(=O)[nH]n2)n1
InChIInChI=1S/C11H11N5O2/c1-7-3-2-4-8(12-7)13-11(18)14-9-5-6-10(17)16-15-9/h2-6H,1H3,(H,16,17)(H2,12,13,14,15,18)
InChIKeyYFVWTOBSYNNQBC-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.12
Rot. Bonds2

About 1-(6-methyl-2-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea

1-(6-methyl-2-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (PubChem CID 108887379) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
PubChem CID108887379
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name1-(6-methyl-2-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(=O)[nH]n2)n1
InChIInChI=1S/C11H11N5O2/c1-7-3-2-4-8(12-7)13-11(18)14-9-5-6-10(17)16-15-9/h2-6H,1H3,(H,16,17)(H2,12,13,14,15,18)
InChIKeyYFVWTOBSYNNQBC-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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Related Compounds

1-(6-methyl-3-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887535
1-(3-hydroxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887192
1-tert-butyl-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887248
1-(2,4-dimethylphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887302
1-(2-hydroxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 108871496
1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 6468393
1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea
CID 934768
1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea
CID 10561311
1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea
CID 6465275
1-(3,4-dimethoxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887187
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
1-(1H-indol-3-yl)-3-(6-methyl-2-pyridinyl)urea
CID 18582270

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea (CID 108887379) is 1-(6-methyl-2-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is Cc1cccc(NC(=O)Nc2ccc(=O)[nH]n2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
The InChIKey is YFVWTOBSYNNQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-7-3-2-4-8(12-7)13-11(18)14-9-5-6-10(17)16-15-9/h2-6H,1H3,(H,16,17)(H2,12,13,14,15,18).
What are the key properties of 1-(6-methyl-2-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea?
1-(6-methyl-2-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-2-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea is sourced from PubChem (CID 108887379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).