3-thiophen-2-yl-1,2,4-benzotriazine

C11H7N3S — CID 135025345

IUPAC3-thiophen-2-yl-1,2,4-benzotriazine
SMILESc1csc(-c2nnc3ccccc3n2)c1
InChIInChI=1S/C11H7N3S/c1-2-5-9-8(4-1)12-11(14-13-9)10-6-3-7-15-10/h1-7H
InChIKeyFSLUCZANMBLYGX-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.75
Rot. Bonds1

About 3-thiophen-2-yl-1,2,4-benzotriazine

3-thiophen-2-yl-1,2,4-benzotriazine (PubChem CID 135025345) has the molecular formula C11H7N3S and a molecular weight of 213.27 g/mol. Its IUPAC name is 3-thiophen-2-yl-1,2,4-benzotriazine.

Molecular Properties

Compound Name3-thiophen-2-yl-1,2,4-benzotriazine
PubChem CID135025345
Molecular FormulaC11H7N3S
Molecular Weight213.27 g/mol
Exact Mass213.04
IUPAC Name3-thiophen-2-yl-1,2,4-benzotriazine
SMILESc1csc(-c2nnc3ccccc3n2)c1
InChIInChI=1S/C11H7N3S/c1-2-5-9-8(4-1)12-11(14-13-9)10-6-3-7-15-10/h1-7H
InChIKeyFSLUCZANMBLYGX-UHFFFAOYSA-N
XLogP2.75
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 166594802
3-thiophen-3-yl-1,2,4-benzotriazine
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CID 114589464
N-benzyl-2-thiophen-2-ylquinazolin-4-amine
CID 2573787
1-methyl-2-thiophen-2-ylbenzimidazole
CID 931177
4-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenol
CID 91964343
2,3-dithiophen-2-ylquinoxalin-6-ol
CID 142989779
4-indol-1-yl-2-thiophen-2-ylquinazoline
CID 162400735
2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 11830469
N,N-diphenyl-4,6-dithiophen-2-yl-1,3,5-triazin-2-amine
CID 139202565
4,6-dichloro-2-thiophen-2-ylquinazoline
CID 55180550
2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylquinoxaline
CID 58801159

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-1,2,4-benzotriazine?
The IUPAC name of 3-thiophen-2-yl-1,2,4-benzotriazine (CID 135025345) is 3-thiophen-2-yl-1,2,4-benzotriazine.
What is the SMILES notation for 3-thiophen-2-yl-1,2,4-benzotriazine?
The canonical SMILES for 3-thiophen-2-yl-1,2,4-benzotriazine is c1csc(-c2nnc3ccccc3n2)c1.
What is the InChIKey of 3-thiophen-2-yl-1,2,4-benzotriazine?
The InChIKey is FSLUCZANMBLYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3S/c1-2-5-9-8(4-1)12-11(14-13-9)10-6-3-7-15-10/h1-7H.
What are the key properties of 3-thiophen-2-yl-1,2,4-benzotriazine?
3-thiophen-2-yl-1,2,4-benzotriazine has a molecular weight of 213.27 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-1,2,4-benzotriazine is sourced from PubChem (CID 135025345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).