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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Related Compounds

5-chloro-4-[(4-methylpiperazin-1-yl)amino]-1H-pyridazin-6-one
CID 78913428
N-(5-chloro-6-oxo-1H-pyridazin-4-yl)acetamide
CID 23263238
5-chloro-4-(prop-2-ynylamino)-1H-pyridazin-6-one
CID 78913319
5-chloro-4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one
CID 80746939
5-chloro-4-methyl-1H-pyridazin-6-one;ethane
CID 143900026
5-chloro-4-[2-(3-methylphenyl)ethylamino]-1H-pyridazin-6-one
CID 78989356
4-chloro-5-[(2,5-dimethylpyrrol-1-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114439918
5-chloro-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyridazin-6-one
CID 112730959
5-chloro-4-(3,3-dimethylbutan-2-ylamino)-1H-pyridazin-6-one
CID 104828828
5-chloro-4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790382
5-chloro-4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-1H-pyridazin-6-one
CID 95376853
5-chloro-4-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-1H-pyridazin-6-one
CID 41195971

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).