3H-pyrazolo[1,2-b][1,2,3]benzotriazine

C10H9N3 — CID 123981087

IUPAC3H-pyrazolo[1,2-b][1,2,3]benzotriazine
SMILESC1=CN2C=c3ccccc3=NN2C1
InChIInChI=1S/C10H9N3/c1-2-5-10-9(4-1)8-12-6-3-7-13(12)11-10/h1-6,8H,7H2
InChIKeyMSEBFGVGESPUMU-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.02
Rot. Bonds

About 3H-pyrazolo[1,2-b][1,2,3]benzotriazine

3H-pyrazolo[1,2-b][1,2,3]benzotriazine (PubChem CID 123981087) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3H-pyrazolo[1,2-b][1,2,3]benzotriazine.

Molecular Properties

Compound Name3H-pyrazolo[1,2-b][1,2,3]benzotriazine
PubChem CID123981087
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name3H-pyrazolo[1,2-b][1,2,3]benzotriazine
SMILESC1=CN2C=c3ccccc3=NN2C1
InChIInChI=1S/C10H9N3/c1-2-5-10-9(4-1)8-12-6-3-7-13(12)11-10/h1-6,8H,7H2
InChIKeyMSEBFGVGESPUMU-UHFFFAOYSA-N
XLogP0.02
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 141768000
2-methyl-3H-pyrido[1,2-b]pyridazine
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1-Methyl-6-methylidene-3-prop-1-en-2-ylpyridazine
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Frequently Asked Questions

What is the IUPAC name of 3H-pyrazolo[1,2-b][1,2,3]benzotriazine?
The IUPAC name of 3H-pyrazolo[1,2-b][1,2,3]benzotriazine (CID 123981087) is 3H-pyrazolo[1,2-b][1,2,3]benzotriazine.
What is the SMILES notation for 3H-pyrazolo[1,2-b][1,2,3]benzotriazine?
The canonical SMILES for 3H-pyrazolo[1,2-b][1,2,3]benzotriazine is C1=CN2C=c3ccccc3=NN2C1.
What is the InChIKey of 3H-pyrazolo[1,2-b][1,2,3]benzotriazine?
The InChIKey is MSEBFGVGESPUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-2-5-10-9(4-1)8-12-6-3-7-13(12)11-10/h1-6,8H,7H2.
What are the key properties of 3H-pyrazolo[1,2-b][1,2,3]benzotriazine?
3H-pyrazolo[1,2-b][1,2,3]benzotriazine has a molecular weight of 171.20 g/mol, XLogP of 0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrazolo[1,2-b][1,2,3]benzotriazine is sourced from PubChem (CID 123981087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).