4-chloro-5-[methyl(pyrrol-1-yl)amino]-2-phenylpyridazin-3-one

C15H13ClN4O — CID 2801123

IUPAC4-chloro-5-[methyl(pyrrol-1-yl)amino]-2-phenylpyridazin-3-one
SMILESCN(c1cnn(-c2ccccc2)c(=O)c1Cl)n1cccc1
InChIInChI=1S/C15H13ClN4O/c1-18(19-9-5-6-10-19)13-11-17-20(15(21)14(13)16)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyBKNGIFQBGPRAJR-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.59
Rot. Bonds3

About 4-chloro-5-[methyl(pyrrol-1-yl)amino]-2-phenylpyridazin-3-one

4-chloro-5-[methyl(pyrrol-1-yl)amino]-2-phenylpyridazin-3-one (PubChem CID 2801123) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-chloro-5-[methyl(pyrrol-1-yl)amino]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[methyl(pyrrol-1-yl)amino]-2-phenylpyridazin-3-one
PubChem CID2801123
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name4-chloro-5-[methyl(pyrrol-1-yl)amino]-2-phenylpyridazin-3-one
SMILESCN(c1cnn(-c2ccccc2)c(=O)c1Cl)n1cccc1
InChIInChI=1S/C15H13ClN4O/c1-18(19-9-5-6-10-19)13-11-17-20(15(21)14(13)16)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyBKNGIFQBGPRAJR-UHFFFAOYSA-N
XLogP2.59
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[methyl(pyrrol-1-yl)amino]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[methyl(pyrrol-1-yl)amino]-2-phenylpyridazin-3-one (CID 2801123) is 4-chloro-5-[methyl(pyrrol-1-yl)amino]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[methyl(pyrrol-1-yl)amino]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[methyl(pyrrol-1-yl)amino]-2-phenylpyridazin-3-one is CN(c1cnn(-c2ccccc2)c(=O)c1Cl)n1cccc1.
What is the InChIKey of 4-chloro-5-[methyl(pyrrol-1-yl)amino]-2-phenylpyridazin-3-one?
The InChIKey is BKNGIFQBGPRAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-18(19-9-5-6-10-19)13-11-17-20(15(21)14(13)16)12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of 4-chloro-5-[methyl(pyrrol-1-yl)amino]-2-phenylpyridazin-3-one?
4-chloro-5-[methyl(pyrrol-1-yl)amino]-2-phenylpyridazin-3-one has a molecular weight of 300.75 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[methyl(pyrrol-1-yl)amino]-2-phenylpyridazin-3-one is sourced from PubChem (CID 2801123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).