4-chloro-2-phenyl-5-(1-phenyltetrazol-5-yl)sulfanylpyridazin-3-one

C17H11ClN6OS — CID 9212270

IUPAC4-chloro-2-phenyl-5-(1-phenyltetrazol-5-yl)sulfanylpyridazin-3-one
SMILESO=c1c(Cl)c(Sc2nnnn2-c2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C17H11ClN6OS/c18-15-14(11-19-23(16(15)25)12-7-3-1-4-8-12)26-17-20-21-22-24(17)13-9-5-2-6-10-13/h1-11H
InChIKeyMHUCLLVOLBTVCH-UHFFFAOYSA-N
MW382.84 g/mol
LogP3.01
Rot. Bonds4

About 4-chloro-2-phenyl-5-(1-phenyltetrazol-5-yl)sulfanylpyridazin-3-one

4-chloro-2-phenyl-5-(1-phenyltetrazol-5-yl)sulfanylpyridazin-3-one (PubChem CID 9212270) has the molecular formula C17H11ClN6OS and a molecular weight of 382.84 g/mol. Its IUPAC name is 4-chloro-2-phenyl-5-(1-phenyltetrazol-5-yl)sulfanylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-phenyl-5-(1-phenyltetrazol-5-yl)sulfanylpyridazin-3-one
PubChem CID9212270
Molecular FormulaC17H11ClN6OS
Molecular Weight382.84 g/mol
Exact Mass382.04
IUPAC Name4-chloro-2-phenyl-5-(1-phenyltetrazol-5-yl)sulfanylpyridazin-3-one
SMILESO=c1c(Cl)c(Sc2nnnn2-c2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C17H11ClN6OS/c18-15-14(11-19-23(16(15)25)12-7-3-1-4-8-12)26-17-20-21-22-24(17)13-9-5-2-6-10-13/h1-11H
InChIKeyMHUCLLVOLBTVCH-UHFFFAOYSA-N
XLogP3.01
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-chloro-4-(1-phenyltetrazol-5-yl)sulfanylaniline
CID 594148
4-chloro-5-[(2-methylphenyl)methylsulfanyl]-2-phenylpyridazin-3-one
CID 9195555
[4-chloro-2-(1-phenyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 63081126
5-chloro-4-fluoro-2-(1-phenyltetrazol-5-yl)sulfanylaniline
CID 66078113
1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 9110390
S-(1-phenyltetrazol-5-yl)thiohydroxylamine
CID 170760951
1-ethyl-3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-one
CID 133446978
3-methyl-4-(1-phenyltetrazol-5-yl)sulfanylbenzaldehyde
CID 63801853
3-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylaniline
CID 28972796
methyl 3-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)sulfanylpropanoate
CID 9311577
1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 17449592
1-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrazolo[5,4-d]pyrimidine
CID 2808974

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-5-(1-phenyltetrazol-5-yl)sulfanylpyridazin-3-one?
The IUPAC name of 4-chloro-2-phenyl-5-(1-phenyltetrazol-5-yl)sulfanylpyridazin-3-one (CID 9212270) is 4-chloro-2-phenyl-5-(1-phenyltetrazol-5-yl)sulfanylpyridazin-3-one.
What is the SMILES notation for 4-chloro-2-phenyl-5-(1-phenyltetrazol-5-yl)sulfanylpyridazin-3-one?
The canonical SMILES for 4-chloro-2-phenyl-5-(1-phenyltetrazol-5-yl)sulfanylpyridazin-3-one is O=c1c(Cl)c(Sc2nnnn2-c2ccccc2)cnn1-c1ccccc1.
What is the InChIKey of 4-chloro-2-phenyl-5-(1-phenyltetrazol-5-yl)sulfanylpyridazin-3-one?
The InChIKey is MHUCLLVOLBTVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN6OS/c18-15-14(11-19-23(16(15)25)12-7-3-1-4-8-12)26-17-20-21-22-24(17)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 4-chloro-2-phenyl-5-(1-phenyltetrazol-5-yl)sulfanylpyridazin-3-one?
4-chloro-2-phenyl-5-(1-phenyltetrazol-5-yl)sulfanylpyridazin-3-one has a molecular weight of 382.84 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-5-(1-phenyltetrazol-5-yl)sulfanylpyridazin-3-one is sourced from PubChem (CID 9212270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).