2,3-dihydro-1H-cyclopenta[d]triazine

C6H7N3 — CID 68867308

IUPAC2,3-dihydro-1H-cyclopenta[d]triazine
SMILESC1=CC2=CNNNC2=C1
InChIInChI=1S/C6H7N3/c1-2-5-4-7-9-8-6(5)3-1/h1-4,7-9H
InChIKeyFRZFHDWLKIEGKR-UHFFFAOYSA-N
MW121.14 g/mol
LogP-0.06
Rot. Bonds

About 2,3-dihydro-1H-cyclopenta[d]triazine

2,3-dihydro-1H-cyclopenta[d]triazine (PubChem CID 68867308) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 2,3-dihydro-1H-cyclopenta[d]triazine.

Molecular Properties

Compound Name2,3-dihydro-1H-cyclopenta[d]triazine
PubChem CID68867308
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name2,3-dihydro-1H-cyclopenta[d]triazine
SMILESC1=CC2=CNNNC2=C1
InChIInChI=1S/C6H7N3/c1-2-5-4-7-9-8-6(5)3-1/h1-4,7-9H
InChIKeyFRZFHDWLKIEGKR-UHFFFAOYSA-N
XLogP-0.06
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-cyclopenta[d]triazine?
The IUPAC name of 2,3-dihydro-1H-cyclopenta[d]triazine (CID 68867308) is 2,3-dihydro-1H-cyclopenta[d]triazine.
What is the SMILES notation for 2,3-dihydro-1H-cyclopenta[d]triazine?
The canonical SMILES for 2,3-dihydro-1H-cyclopenta[d]triazine is C1=CC2=CNNNC2=C1.
What is the InChIKey of 2,3-dihydro-1H-cyclopenta[d]triazine?
The InChIKey is FRZFHDWLKIEGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-2-5-4-7-9-8-6(5)3-1/h1-4,7-9H.
What are the key properties of 2,3-dihydro-1H-cyclopenta[d]triazine?
2,3-dihydro-1H-cyclopenta[d]triazine has a molecular weight of 121.14 g/mol, XLogP of -0.06, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-cyclopenta[d]triazine is sourced from PubChem (CID 68867308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).