1-(5-chloropyridazin-3-yl)-3-methoxyurea

C6H7ClN4O2 — CID 131041912

IUPAC1-(5-chloropyridazin-3-yl)-3-methoxyurea
SMILESCONC(=O)Nc1cc(Cl)cnn1
InChIInChI=1S/C6H7ClN4O2/c1-13-11-6(12)9-5-2-4(7)3-8-10-5/h2-3H,1H3,(H2,9,10,11,12)
InChIKeyISQVSFQYINTEOC-UHFFFAOYSA-N
MW202.60 g/mol
LogP0.81
Rot. Bonds2

About 1-(5-chloropyridazin-3-yl)-3-methoxyurea

1-(5-chloropyridazin-3-yl)-3-methoxyurea (PubChem CID 131041912) has the molecular formula C6H7ClN4O2 and a molecular weight of 202.60 g/mol. Its IUPAC name is 1-(5-chloropyridazin-3-yl)-3-methoxyurea.

Molecular Properties

Compound Name1-(5-chloropyridazin-3-yl)-3-methoxyurea
PubChem CID131041912
Molecular FormulaC6H7ClN4O2
Molecular Weight202.60 g/mol
Exact Mass202.03
IUPAC Name1-(5-chloropyridazin-3-yl)-3-methoxyurea
SMILESCONC(=O)Nc1cc(Cl)cnn1
InChIInChI=1S/C6H7ClN4O2/c1-13-11-6(12)9-5-2-4(7)3-8-10-5/h2-3H,1H3,(H2,9,10,11,12)
InChIKeyISQVSFQYINTEOC-UHFFFAOYSA-N
XLogP0.81
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-chloropyridazin-3-yl)carbamic acid
CID 89288358
methyl 5-chloropyridazine-3-carboxylate
CID 131699995
trans-(1S,2S)-N-(5-chloropyridazin-3-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165132826
1-methoxy-3-(5-methyl-3-pyridinyl)urea
CID 131084336
N-[5-(methoxymethyl)pyridazin-3-yl]acetamide
CID 166765527
1-(4-chloro-2-pyridinyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896855
1-(5-fluoro-3-methyl-2-pyridinyl)-3-methoxyurea
CID 134178068
1-(2-chlorothiophen-3-yl)-3-methoxyurea
CID 130928006
methyl 2-[[4-chloro-6-[(2-methoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]-2-oxoacetate
CID 21422144
2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid
CID 84670284
1-methoxy-3-(4-propan-2-ylphenyl)urea
CID 134178123
5-amino-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 81319684

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropyridazin-3-yl)-3-methoxyurea?
The IUPAC name of 1-(5-chloropyridazin-3-yl)-3-methoxyurea (CID 131041912) is 1-(5-chloropyridazin-3-yl)-3-methoxyurea.
What is the SMILES notation for 1-(5-chloropyridazin-3-yl)-3-methoxyurea?
The canonical SMILES for 1-(5-chloropyridazin-3-yl)-3-methoxyurea is CONC(=O)Nc1cc(Cl)cnn1.
What is the InChIKey of 1-(5-chloropyridazin-3-yl)-3-methoxyurea?
The InChIKey is ISQVSFQYINTEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN4O2/c1-13-11-6(12)9-5-2-4(7)3-8-10-5/h2-3H,1H3,(H2,9,10,11,12).
What are the key properties of 1-(5-chloropyridazin-3-yl)-3-methoxyurea?
1-(5-chloropyridazin-3-yl)-3-methoxyurea has a molecular weight of 202.60 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropyridazin-3-yl)-3-methoxyurea is sourced from PubChem (CID 131041912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).