4-pentyltriazine

C8H13N3 — CID 66690991

IUPAC4-pentyltriazine
SMILESCCCCCc1ccnnn1
InChIInChI=1S/C8H13N3/c1-2-3-4-5-8-6-7-9-11-10-8/h6-7H,2-5H2,1H3
InChIKeyUHXYBPSLULYBEB-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.60
Rot. Bonds4

About 4-pentyltriazine

4-pentyltriazine (PubChem CID 66690991) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-pentyltriazine.

Molecular Properties

Compound Name4-pentyltriazine
PubChem CID66690991
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name4-pentyltriazine
SMILESCCCCCc1ccnnn1
InChIInChI=1S/C8H13N3/c1-2-3-4-5-8-6-7-9-11-10-8/h6-7H,2-5H2,1H3
InChIKeyUHXYBPSLULYBEB-UHFFFAOYSA-N
XLogP1.60
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pentyltriazine?
The IUPAC name of 4-pentyltriazine (CID 66690991) is 4-pentyltriazine.
What is the SMILES notation for 4-pentyltriazine?
The canonical SMILES for 4-pentyltriazine is CCCCCc1ccnnn1.
What is the InChIKey of 4-pentyltriazine?
The InChIKey is UHXYBPSLULYBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-3-4-5-8-6-7-9-11-10-8/h6-7H,2-5H2,1H3.
What are the key properties of 4-pentyltriazine?
4-pentyltriazine has a molecular weight of 151.21 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyltriazine is sourced from PubChem (CID 66690991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).