pyrazolo[1,5-c][1,2,3]benzotriazine

C9H6N4 — CID 134916177

IUPACpyrazolo[1,5-c][1,2,3]benzotriazine
SMILESc1ccc2c(c1)nnn1nccc21
InChIInChI=1S/C9H6N4/c1-2-4-8-7(3-1)9-5-6-10-13(9)12-11-8/h1-6H
InChIKeyXNOHNNMBIIEJLC-UHFFFAOYSA-N
MW170.18 g/mol
LogP1.28
Rot. Bonds

About pyrazolo[1,5-c][1,2,3]benzotriazine

pyrazolo[1,5-c][1,2,3]benzotriazine (PubChem CID 134916177) has the molecular formula C9H6N4 and a molecular weight of 170.18 g/mol. Its IUPAC name is pyrazolo[1,5-c][1,2,3]benzotriazine.

Molecular Properties

Compound Namepyrazolo[1,5-c][1,2,3]benzotriazine
PubChem CID134916177
Molecular FormulaC9H6N4
Molecular Weight170.18 g/mol
Exact Mass170.06
IUPAC Namepyrazolo[1,5-c][1,2,3]benzotriazine
SMILESc1ccc2c(c1)nnn1nccc21
InChIInChI=1S/C9H6N4/c1-2-4-8-7(3-1)9-5-6-10-13(9)12-11-8/h1-6H
InChIKeyXNOHNNMBIIEJLC-UHFFFAOYSA-N
XLogP1.28
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyrrolo[1,2-c][1,2,3]benzotriazine
CID 70352768
3-bromo-1,2,3-benzotriazin-4-one
CID 141391394
azanium 1-oxidobenzotriazole
CID 23118068
3-methyl-[1,2,4]triazino[2,3-c][1,2,3]benzotriazin-2-one
CID 71912937
(2R)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid
CID 7061916
3-(3-oxobutan-2-yl)-1,2,3-benzotriazin-4-one
CID 170011258
1-(3,3-dimethylbutan-2-yl)benzotriazole
CID 175055537
3-[(4-hydroxyphenyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 47262856
tris(benzotriazol-1-yl)borane
CID 101187740
ethane;3-ethyl-1,2,3-benzotriazin-4-one
CID 145233159
3-(1,2-oxazol-5-ylmethyl)-1,2,3-benzotriazin-4-one
CID 56810205
[benzotriazol-1-yl(methoxy)methyl]-trimethylsilane
CID 3780985

Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-c][1,2,3]benzotriazine?
The IUPAC name of pyrazolo[1,5-c][1,2,3]benzotriazine (CID 134916177) is pyrazolo[1,5-c][1,2,3]benzotriazine.
What is the SMILES notation for pyrazolo[1,5-c][1,2,3]benzotriazine?
The canonical SMILES for pyrazolo[1,5-c][1,2,3]benzotriazine is c1ccc2c(c1)nnn1nccc21.
What is the InChIKey of pyrazolo[1,5-c][1,2,3]benzotriazine?
The InChIKey is XNOHNNMBIIEJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4/c1-2-4-8-7(3-1)9-5-6-10-13(9)12-11-8/h1-6H.
What are the key properties of pyrazolo[1,5-c][1,2,3]benzotriazine?
pyrazolo[1,5-c][1,2,3]benzotriazine has a molecular weight of 170.18 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-c][1,2,3]benzotriazine is sourced from PubChem (CID 134916177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).