2H-cyclonona[d]triazine

C10H9N3 — CID 68538400

IUPAC2H-cyclonona[d]triazine
SMILESc1cccc2cn[nH]nc-2ccc1
InChIInChI=1S/C10H9N3/c1-2-4-6-9-8-11-13-12-10(9)7-5-3-1/h1-8,13H/b3-1-,4-2-,7-5-,9-6-
InChIKeyPOLNTUJIQQSSCP-YAOXVPLHSA-N
MW171.20 g/mol
LogP2.03
Rot. Bonds

About 2H-cyclonona[d]triazine

2H-cyclonona[d]triazine (PubChem CID 68538400) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2H-cyclonona[d]triazine.

Molecular Properties

Compound Name2H-cyclonona[d]triazine
PubChem CID68538400
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name2H-cyclonona[d]triazine
SMILESc1cccc2cn[nH]nc-2ccc1
InChIInChI=1S/C10H9N3/c1-2-4-6-9-8-11-13-12-10(9)7-5-3-1/h1-8,13H/b3-1-,4-2-,7-5-,9-6-
InChIKeyPOLNTUJIQQSSCP-YAOXVPLHSA-N
XLogP2.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-cyclonona[d]triazine?
The IUPAC name of 2H-cyclonona[d]triazine (CID 68538400) is 2H-cyclonona[d]triazine.
What is the SMILES notation for 2H-cyclonona[d]triazine?
The canonical SMILES for 2H-cyclonona[d]triazine is c1cccc2cn[nH]nc-2ccc1.
What is the InChIKey of 2H-cyclonona[d]triazine?
The InChIKey is POLNTUJIQQSSCP-YAOXVPLHSA-N. The full InChI is InChI=1S/C10H9N3/c1-2-4-6-9-8-11-13-12-10(9)7-5-3-1/h1-8,13H/b3-1-,4-2-,7-5-,9-6-.
What are the key properties of 2H-cyclonona[d]triazine?
2H-cyclonona[d]triazine has a molecular weight of 171.20 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-cyclonona[d]triazine is sourced from PubChem (CID 68538400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).