4-chloro-2-phenyl-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]pyridazin-3-one

C20H17ClN6O — CID 78805465

IUPAC4-chloro-2-phenyl-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]pyridazin-3-one
SMILESCC(Nc1cnn(-c2ccccc2)c(=O)c1Cl)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C20H17ClN6O/c1-14(15-7-9-16(10-8-15)26-13-22-12-24-26)25-18-11-23-27(20(28)19(18)21)17-5-3-2-4-6-17/h2-14,25H,1H3
InChIKeySZRJTKAHBIERJS-UHFFFAOYSA-N
MW392.85 g/mol
LogP3.64
Rot. Bonds5

About 4-chloro-2-phenyl-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]pyridazin-3-one

4-chloro-2-phenyl-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]pyridazin-3-one (PubChem CID 78805465) has the molecular formula C20H17ClN6O and a molecular weight of 392.85 g/mol. Its IUPAC name is 4-chloro-2-phenyl-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-phenyl-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]pyridazin-3-one
PubChem CID78805465
Molecular FormulaC20H17ClN6O
Molecular Weight392.85 g/mol
Exact Mass392.12
IUPAC Name4-chloro-2-phenyl-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]pyridazin-3-one
SMILESCC(Nc1cnn(-c2ccccc2)c(=O)c1Cl)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C20H17ClN6O/c1-14(15-7-9-16(10-8-15)26-13-22-12-24-26)25-18-11-23-27(20(28)19(18)21)17-5-3-2-4-6-17/h2-14,25H,1H3
InChIKeySZRJTKAHBIERJS-UHFFFAOYSA-N
XLogP3.64
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-2-phenyl-5-[1-(1-phenyltriazol-4-yl)ethylamino]pyridazin-3-one
CID 133365427
4-chloro-2-phenyl-5-[[(1S)-1-thiophen-2-ylethyl]amino]pyridazin-3-one
CID 9109290
4-chloro-5-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-(4-nitrophenyl)pyridazin-3-one
CID 99801693
4-chloro-5-(1-phenylethylamino)-2-propan-2-ylpyridazin-3-one
CID 114431888
4-chloro-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-phenylpyridazin-3-one
CID 133335715
5-chloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine
CID 97088603
5-chloro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine
CID 97088604
4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one
CID 24998005
4-chloro-5-[[(2S)-1-hydroxybutan-2-yl]amino]-2-phenylpyridazin-3-one
CID 133434585
3-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline
CID 43726250
2-fluoro-6-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]benzonitrile
CID 95152949
5-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline
CID 43226937

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-phenyl-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]pyridazin-3-one (CID 78805465) is 4-chloro-2-phenyl-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-phenyl-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-phenyl-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]pyridazin-3-one is CC(Nc1cnn(-c2ccccc2)c(=O)c1Cl)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 4-chloro-2-phenyl-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]pyridazin-3-one?
The InChIKey is SZRJTKAHBIERJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O/c1-14(15-7-9-16(10-8-15)26-13-22-12-24-26)25-18-11-23-27(20(28)19(18)21)17-5-3-2-4-6-17/h2-14,25H,1H3.
What are the key properties of 4-chloro-2-phenyl-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]pyridazin-3-one?
4-chloro-2-phenyl-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]pyridazin-3-one has a molecular weight of 392.85 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]pyridazin-3-one is sourced from PubChem (CID 78805465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).