2H-cyclopenta[h][1,2,3]benzotriazine

C10H7N3 — CID 87492337

IUPAC2H-cyclopenta[h][1,2,3]benzotriazine
SMILESc1cc2ccc3cn[nH]nc3c2c1
InChIInChI=1S/C10H7N3/c1-2-7-4-5-8-6-11-13-12-10(8)9(7)3-1/h1-6,13H
InChIKeyJYVBNAGAELLMPB-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.11
Rot. Bonds

About 2H-cyclopenta[h][1,2,3]benzotriazine

2H-cyclopenta[h][1,2,3]benzotriazine (PubChem CID 87492337) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 2H-cyclopenta[h][1,2,3]benzotriazine.

Molecular Properties

Compound Name2H-cyclopenta[h][1,2,3]benzotriazine
PubChem CID87492337
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name2H-cyclopenta[h][1,2,3]benzotriazine
SMILESc1cc2ccc3cn[nH]nc3c2c1
InChIInChI=1S/C10H7N3/c1-2-7-4-5-8-6-11-13-12-10(8)9(7)3-1/h1-6,13H
InChIKeyJYVBNAGAELLMPB-UHFFFAOYSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-cyclopenta[h][1,2,3]benzotriazine?
The IUPAC name of 2H-cyclopenta[h][1,2,3]benzotriazine (CID 87492337) is 2H-cyclopenta[h][1,2,3]benzotriazine.
What is the SMILES notation for 2H-cyclopenta[h][1,2,3]benzotriazine?
The canonical SMILES for 2H-cyclopenta[h][1,2,3]benzotriazine is c1cc2ccc3cn[nH]nc3c2c1.
What is the InChIKey of 2H-cyclopenta[h][1,2,3]benzotriazine?
The InChIKey is JYVBNAGAELLMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3/c1-2-7-4-5-8-6-11-13-12-10(8)9(7)3-1/h1-6,13H.
What are the key properties of 2H-cyclopenta[h][1,2,3]benzotriazine?
2H-cyclopenta[h][1,2,3]benzotriazine has a molecular weight of 169.19 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-cyclopenta[h][1,2,3]benzotriazine is sourced from PubChem (CID 87492337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).