1-pyrazin-2-ylbenzotriazole

C10H7N5 — CID 1238772

IUPAC1-pyrazin-2-ylbenzotriazole
SMILESc1ccc2c(c1)nnn2-c1cnccn1
InChIInChI=1S/C10H7N5/c1-2-4-9-8(3-1)13-14-15(9)10-7-11-5-6-12-10/h1-7H
InChIKeyQZDWMGWYGAUPLP-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.21
Rot. Bonds1

About 1-pyrazin-2-ylbenzotriazole

1-pyrazin-2-ylbenzotriazole (PubChem CID 1238772) has the molecular formula C10H7N5 and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-pyrazin-2-ylbenzotriazole.

Molecular Properties

Compound Name1-pyrazin-2-ylbenzotriazole
PubChem CID1238772
Molecular FormulaC10H7N5
Molecular Weight197.20 g/mol
Exact Mass197.07
IUPAC Name1-pyrazin-2-ylbenzotriazole
SMILESc1ccc2c(c1)nnn2-c1cnccn1
InChIInChI=1S/C10H7N5/c1-2-4-9-8(3-1)13-14-15(9)10-7-11-5-6-12-10/h1-7H
InChIKeyQZDWMGWYGAUPLP-UHFFFAOYSA-N
XLogP1.21
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-ylbenzotriazole?
The IUPAC name of 1-pyrazin-2-ylbenzotriazole (CID 1238772) is 1-pyrazin-2-ylbenzotriazole.
What is the SMILES notation for 1-pyrazin-2-ylbenzotriazole?
The canonical SMILES for 1-pyrazin-2-ylbenzotriazole is c1ccc2c(c1)nnn2-c1cnccn1.
What is the InChIKey of 1-pyrazin-2-ylbenzotriazole?
The InChIKey is QZDWMGWYGAUPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5/c1-2-4-9-8(3-1)13-14-15(9)10-7-11-5-6-12-10/h1-7H.
What are the key properties of 1-pyrazin-2-ylbenzotriazole?
1-pyrazin-2-ylbenzotriazole has a molecular weight of 197.20 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-ylbenzotriazole is sourced from PubChem (CID 1238772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).