4-chloro-5-[cyclopropyl(propyl)amino]-2-methylpyridazin-3-one

C11H16ClN3O — CID 86794321

IUPAC4-chloro-5-[cyclopropyl(propyl)amino]-2-methylpyridazin-3-one
SMILESCCCN(c1cnn(C)c(=O)c1Cl)C1CC1
InChIInChI=1S/C11H16ClN3O/c1-3-6-15(8-4-5-8)9-7-13-14(2)11(16)10(9)12/h7-8H,3-6H2,1-2H3
InChIKeyDKAGRBSXZHBRIO-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.81
Rot. Bonds4

About 4-chloro-5-[cyclopropyl(propyl)amino]-2-methylpyridazin-3-one

4-chloro-5-[cyclopropyl(propyl)amino]-2-methylpyridazin-3-one (PubChem CID 86794321) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-5-[cyclopropyl(propyl)amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[cyclopropyl(propyl)amino]-2-methylpyridazin-3-one
PubChem CID86794321
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-5-[cyclopropyl(propyl)amino]-2-methylpyridazin-3-one
SMILESCCCN(c1cnn(C)c(=O)c1Cl)C1CC1
InChIInChI=1S/C11H16ClN3O/c1-3-6-15(8-4-5-8)9-7-13-14(2)11(16)10(9)12/h7-8H,3-6H2,1-2H3
InChIKeyDKAGRBSXZHBRIO-UHFFFAOYSA-N
XLogP1.81
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[cyclopropyl(propyl)amino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[cyclopropyl(propyl)amino]-2-methylpyridazin-3-one (CID 86794321) is 4-chloro-5-[cyclopropyl(propyl)amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[cyclopropyl(propyl)amino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[cyclopropyl(propyl)amino]-2-methylpyridazin-3-one is CCCN(c1cnn(C)c(=O)c1Cl)C1CC1.
What is the InChIKey of 4-chloro-5-[cyclopropyl(propyl)amino]-2-methylpyridazin-3-one?
The InChIKey is DKAGRBSXZHBRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-3-6-15(8-4-5-8)9-7-13-14(2)11(16)10(9)12/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-chloro-5-[cyclopropyl(propyl)amino]-2-methylpyridazin-3-one?
4-chloro-5-[cyclopropyl(propyl)amino]-2-methylpyridazin-3-one has a molecular weight of 241.72 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[cyclopropyl(propyl)amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 86794321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).