5-chloro-4-[(2,5-dimethylpyrrol-1-yl)amino]-1H-pyridazin-6-one

C10H11ClN4O — CID 80747145

IUPAC5-chloro-4-[(2,5-dimethylpyrrol-1-yl)amino]-1H-pyridazin-6-one
SMILESCc1ccc(C)n1Nc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C10H11ClN4O/c1-6-3-4-7(2)15(6)14-8-5-12-13-10(16)9(8)11/h3-5H,1-2H3,(H2,13,14,16)
InChIKeyFFDWNEIDCMPHLE-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.72
Rot. Bonds2

About 5-chloro-4-[(2,5-dimethylpyrrol-1-yl)amino]-1H-pyridazin-6-one

5-chloro-4-[(2,5-dimethylpyrrol-1-yl)amino]-1H-pyridazin-6-one (PubChem CID 80747145) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 5-chloro-4-[(2,5-dimethylpyrrol-1-yl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2,5-dimethylpyrrol-1-yl)amino]-1H-pyridazin-6-one
PubChem CID80747145
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name5-chloro-4-[(2,5-dimethylpyrrol-1-yl)amino]-1H-pyridazin-6-one
SMILESCc1ccc(C)n1Nc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C10H11ClN4O/c1-6-3-4-7(2)15(6)14-8-5-12-13-10(16)9(8)11/h3-5H,1-2H3,(H2,13,14,16)
InChIKeyFFDWNEIDCMPHLE-UHFFFAOYSA-N
XLogP1.72
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2,5-dimethylpyrrol-1-yl)amino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2,5-dimethylpyrrol-1-yl)amino]-1H-pyridazin-6-one (CID 80747145) is 5-chloro-4-[(2,5-dimethylpyrrol-1-yl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2,5-dimethylpyrrol-1-yl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2,5-dimethylpyrrol-1-yl)amino]-1H-pyridazin-6-one is Cc1ccc(C)n1Nc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[(2,5-dimethylpyrrol-1-yl)amino]-1H-pyridazin-6-one?
The InChIKey is FFDWNEIDCMPHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-6-3-4-7(2)15(6)14-8-5-12-13-10(16)9(8)11/h3-5H,1-2H3,(H2,13,14,16).
What are the key properties of 5-chloro-4-[(2,5-dimethylpyrrol-1-yl)amino]-1H-pyridazin-6-one?
5-chloro-4-[(2,5-dimethylpyrrol-1-yl)amino]-1H-pyridazin-6-one has a molecular weight of 238.68 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2,5-dimethylpyrrol-1-yl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 80747145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).