6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine

C8H11N3 — CID 13117516

IUPAC6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine
SMILESc1nnc2c(n1)CCCCC2
InChIInChI=1S/C8H11N3/c1-2-4-7-8(5-3-1)11-10-6-9-7/h6H,1-5H2
InChIKeyPHSUSFYECUVJDN-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.14
Rot. Bonds

About 6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine

6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine (PubChem CID 13117516) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine
PubChem CID13117516
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine
SMILESc1nnc2c(n1)CCCCC2
InChIInChI=1S/C8H11N3/c1-2-4-7-8(5-3-1)11-10-6-9-7/h6H,1-5H2
InChIKeyPHSUSFYECUVJDN-UHFFFAOYSA-N
XLogP1.14
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine?
The IUPAC name of 6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine (CID 13117516) is 6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine is c1nnc2c(n1)CCCCC2.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine?
The InChIKey is PHSUSFYECUVJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-2-4-7-8(5-3-1)11-10-6-9-7/h6H,1-5H2.
What are the key properties of 6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine?
6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine has a molecular weight of 149.20 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine is sourced from PubChem (CID 13117516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).