5,6,7,8,9,10-hexahydrocycloocta[e][1,2,4]triazine

C9H13N3 — CID 68867610

IUPAC5,6,7,8,9,10-hexahydrocycloocta[e][1,2,4]triazine
SMILESc1nnc2c(n1)CCCCCC2
InChIInChI=1S/C9H13N3/c1-2-4-6-9-8(5-3-1)10-7-11-12-9/h7H,1-6H2
InChIKeyCCUFGPZYNXQGQP-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.53
Rot. Bonds

About 5,6,7,8,9,10-hexahydrocycloocta[e][1,2,4]triazine

5,6,7,8,9,10-hexahydrocycloocta[e][1,2,4]triazine (PubChem CID 68867610) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 5,6,7,8,9,10-hexahydrocycloocta[e][1,2,4]triazine.

Molecular Properties

Compound Name5,6,7,8,9,10-hexahydrocycloocta[e][1,2,4]triazine
PubChem CID68867610
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name5,6,7,8,9,10-hexahydrocycloocta[e][1,2,4]triazine
SMILESc1nnc2c(n1)CCCCCC2
InChIInChI=1S/C9H13N3/c1-2-4-6-9-8(5-3-1)10-7-11-12-9/h7H,1-6H2
InChIKeyCCUFGPZYNXQGQP-UHFFFAOYSA-N
XLogP1.53
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8,9,10-hexahydrocycloocta[e][1,2,4]triazine?
The IUPAC name of 5,6,7,8,9,10-hexahydrocycloocta[e][1,2,4]triazine (CID 68867610) is 5,6,7,8,9,10-hexahydrocycloocta[e][1,2,4]triazine.
What is the SMILES notation for 5,6,7,8,9,10-hexahydrocycloocta[e][1,2,4]triazine?
The canonical SMILES for 5,6,7,8,9,10-hexahydrocycloocta[e][1,2,4]triazine is c1nnc2c(n1)CCCCCC2.
What is the InChIKey of 5,6,7,8,9,10-hexahydrocycloocta[e][1,2,4]triazine?
The InChIKey is CCUFGPZYNXQGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-4-6-9-8(5-3-1)10-7-11-12-9/h7H,1-6H2.
What are the key properties of 5,6,7,8,9,10-hexahydrocycloocta[e][1,2,4]triazine?
5,6,7,8,9,10-hexahydrocycloocta[e][1,2,4]triazine has a molecular weight of 163.22 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8,9,10-hexahydrocycloocta[e][1,2,4]triazine is sourced from PubChem (CID 68867610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).