7-chloro-3-[1-(thiadiazol-4-yl)ethyl]-1,2,3-benzotriazin-4-one

C11H8ClN5OS — CID 167955846

IUPAC7-chloro-3-[1-(thiadiazol-4-yl)ethyl]-1,2,3-benzotriazin-4-one
SMILESCC(c1csnn1)n1nnc2cc(Cl)ccc2c1=O
InChIInChI=1S/C11H8ClN5OS/c1-6(10-5-19-16-14-10)17-11(18)8-3-2-7(12)4-9(8)13-15-17/h2-6H,1H3
InChIKeyQSEUWBIYADDZRR-UHFFFAOYSA-N
MW293.74 g/mol
LogP1.91
Rot. Bonds2

About 7-chloro-3-[1-(thiadiazol-4-yl)ethyl]-1,2,3-benzotriazin-4-one

7-chloro-3-[1-(thiadiazol-4-yl)ethyl]-1,2,3-benzotriazin-4-one (PubChem CID 167955846) has the molecular formula C11H8ClN5OS and a molecular weight of 293.74 g/mol. Its IUPAC name is 7-chloro-3-[1-(thiadiazol-4-yl)ethyl]-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name7-chloro-3-[1-(thiadiazol-4-yl)ethyl]-1,2,3-benzotriazin-4-one
PubChem CID167955846
Molecular FormulaC11H8ClN5OS
Molecular Weight293.74 g/mol
Exact Mass293.01
IUPAC Name7-chloro-3-[1-(thiadiazol-4-yl)ethyl]-1,2,3-benzotriazin-4-one
SMILESCC(c1csnn1)n1nnc2cc(Cl)ccc2c1=O
InChIInChI=1S/C11H8ClN5OS/c1-6(10-5-19-16-14-10)17-11(18)8-3-2-7(12)4-9(8)13-15-17/h2-6H,1H3
InChIKeyQSEUWBIYADDZRR-UHFFFAOYSA-N
XLogP1.91
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-7-chloro-1,2,3-benzotriazin-4-one
CID 171985660
2-(7-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide
CID 146124970
7-chloro-3-(cyclopropylmethyl)-1,2,3-benzotriazin-4-one
CID 167767911
(2R)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid
CID 7061916
4-(7-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-2-[4-(4-chlorophenyl)-N-methylsulfonylanilino]butanoic acid
CID 56949181
6-chloro-3-(chloromethyl)-1,2,3-benzotriazin-4-one
CID 606627
7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one
CID 769633
3-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one
CID 4909386
3-amino-7-chloroquinazolin-4-one
CID 82275274
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488402
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 16510330
7-chloro-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline
CID 24508564

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[1-(thiadiazol-4-yl)ethyl]-1,2,3-benzotriazin-4-one?
The IUPAC name of 7-chloro-3-[1-(thiadiazol-4-yl)ethyl]-1,2,3-benzotriazin-4-one (CID 167955846) is 7-chloro-3-[1-(thiadiazol-4-yl)ethyl]-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 7-chloro-3-[1-(thiadiazol-4-yl)ethyl]-1,2,3-benzotriazin-4-one?
The canonical SMILES for 7-chloro-3-[1-(thiadiazol-4-yl)ethyl]-1,2,3-benzotriazin-4-one is CC(c1csnn1)n1nnc2cc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-3-[1-(thiadiazol-4-yl)ethyl]-1,2,3-benzotriazin-4-one?
The InChIKey is QSEUWBIYADDZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5OS/c1-6(10-5-19-16-14-10)17-11(18)8-3-2-7(12)4-9(8)13-15-17/h2-6H,1H3.
What are the key properties of 7-chloro-3-[1-(thiadiazol-4-yl)ethyl]-1,2,3-benzotriazin-4-one?
7-chloro-3-[1-(thiadiazol-4-yl)ethyl]-1,2,3-benzotriazin-4-one has a molecular weight of 293.74 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[1-(thiadiazol-4-yl)ethyl]-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 167955846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).