3-(1-methyltetrazol-5-yl)sulfanyl-N'-(2,4,6-trichlorophenyl)propanehydrazide

C11H11Cl3N6OS — CID 60539641

IUPAC3-(1-methyltetrazol-5-yl)sulfanyl-N'-(2,4,6-trichlorophenyl)propanehydrazide
SMILESCn1nnnc1SCCC(=O)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl3N6OS/c1-20-11(17-18-19-20)22-3-2-9(21)15-16-10-7(13)4-6(12)5-8(10)14/h4-5,16H,2-3H2,1H3,(H,15,21)
InChIKeyIVEWFSYLLPKXRV-UHFFFAOYSA-N
MW381.68 g/mol
LogP2.80
Rot. Bonds6

About 3-(1-methyltetrazol-5-yl)sulfanyl-N'-(2,4,6-trichlorophenyl)propanehydrazide

3-(1-methyltetrazol-5-yl)sulfanyl-N'-(2,4,6-trichlorophenyl)propanehydrazide (PubChem CID 60539641) has the molecular formula C11H11Cl3N6OS and a molecular weight of 381.68 g/mol. Its IUPAC name is 3-(1-methyltetrazol-5-yl)sulfanyl-N'-(2,4,6-trichlorophenyl)propanehydrazide.

Molecular Properties

Compound Name3-(1-methyltetrazol-5-yl)sulfanyl-N'-(2,4,6-trichlorophenyl)propanehydrazide
PubChem CID60539641
Molecular FormulaC11H11Cl3N6OS
Molecular Weight381.68 g/mol
Exact Mass379.98
IUPAC Name3-(1-methyltetrazol-5-yl)sulfanyl-N'-(2,4,6-trichlorophenyl)propanehydrazide
SMILESCn1nnnc1SCCC(=O)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl3N6OS/c1-20-11(17-18-19-20)22-3-2-9(21)15-16-10-7(13)4-6(12)5-8(10)14/h4-5,16H,2-3H2,1H3,(H,15,21)
InChIKeyIVEWFSYLLPKXRV-UHFFFAOYSA-N
XLogP2.80
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.68
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 17387870
4-(1-methyltetrazol-5-yl)sulfanylbutan-2-one
CID 3613438
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 51092567
N-(2,6-dichloro-4-sulfamoylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2456584
3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
CID 47318483
3-(1-methyltetrazol-5-yl)sulfanyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 42930160
N-(2-methoxy-5-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 17387877
3-(1-methyltetrazol-5-yl)sulfanyl-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 71866653
[2-oxo-2-[2-(2,4,6-trichlorophenyl)hydrazinyl]ethyl]urea
CID 18288669
methyl 4-(1-methyltetrazol-5-yl)sulfanylbutanoate
CID 13091621
N-[(6-methyl-2-pyridinyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 47353750
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8007009

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanyl-N'-(2,4,6-trichlorophenyl)propanehydrazide?
The IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanyl-N'-(2,4,6-trichlorophenyl)propanehydrazide (CID 60539641) is 3-(1-methyltetrazol-5-yl)sulfanyl-N'-(2,4,6-trichlorophenyl)propanehydrazide.
What is the SMILES notation for 3-(1-methyltetrazol-5-yl)sulfanyl-N'-(2,4,6-trichlorophenyl)propanehydrazide?
The canonical SMILES for 3-(1-methyltetrazol-5-yl)sulfanyl-N'-(2,4,6-trichlorophenyl)propanehydrazide is Cn1nnnc1SCCC(=O)NNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 3-(1-methyltetrazol-5-yl)sulfanyl-N'-(2,4,6-trichlorophenyl)propanehydrazide?
The InChIKey is IVEWFSYLLPKXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3N6OS/c1-20-11(17-18-19-20)22-3-2-9(21)15-16-10-7(13)4-6(12)5-8(10)14/h4-5,16H,2-3H2,1H3,(H,15,21).
What are the key properties of 3-(1-methyltetrazol-5-yl)sulfanyl-N'-(2,4,6-trichlorophenyl)propanehydrazide?
3-(1-methyltetrazol-5-yl)sulfanyl-N'-(2,4,6-trichlorophenyl)propanehydrazide has a molecular weight of 381.68 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltetrazol-5-yl)sulfanyl-N'-(2,4,6-trichlorophenyl)propanehydrazide is sourced from PubChem (CID 60539641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).