5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one

C14H16ClN3O — CID 78970910

IUPAC5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one
SMILESCC(C)c1ccc(CNc2cn[nH]c(=O)c2Cl)cc1
InChIInChI=1S/C14H16ClN3O/c1-9(2)11-5-3-10(4-6-11)7-16-12-8-17-18-14(19)13(12)15/h3-6,8-9H,7H2,1-2H3,(H2,16,18,19)
InChIKeyUYWOONCVALZMLY-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.16
Rot. Bonds4

About 5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one

5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one (PubChem CID 78970910) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one
PubChem CID78970910
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one
SMILESCC(C)c1ccc(CNc2cn[nH]c(=O)c2Cl)cc1
InChIInChI=1S/C14H16ClN3O/c1-9(2)11-5-3-10(4-6-11)7-16-12-8-17-18-14(19)13(12)15/h3-6,8-9H,7H2,1-2H3,(H2,16,18,19)
InChIKeyUYWOONCVALZMLY-UHFFFAOYSA-N
XLogP3.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one (CID 78970910) is 5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one is CC(C)c1ccc(CNc2cn[nH]c(=O)c2Cl)cc1.
What is the InChIKey of 5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one?
The InChIKey is UYWOONCVALZMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9(2)11-5-3-10(4-6-11)7-16-12-8-17-18-14(19)13(12)15/h3-6,8-9H,7H2,1-2H3,(H2,16,18,19).
What are the key properties of 5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one?
5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one has a molecular weight of 277.75 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 78970910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).