1-(5-fluoropentyl)triazol-4-amine

C7H13FN4 — CID 165472005

IUPAC1-(5-fluoropentyl)triazol-4-amine
SMILESNc1cn(CCCCCF)nn1
InChIInChI=1S/C7H13FN4/c8-4-2-1-3-5-12-6-7(9)10-11-12/h6H,1-5,9H2
InChIKeyBISLXVXGHKIKOZ-UHFFFAOYSA-N
MW172.21 g/mol
LogP1.00
Rot. Bonds5

About 1-(5-fluoropentyl)triazol-4-amine

1-(5-fluoropentyl)triazol-4-amine (PubChem CID 165472005) has the molecular formula C7H13FN4 and a molecular weight of 172.21 g/mol. Its IUPAC name is 1-(5-fluoropentyl)triazol-4-amine.

Molecular Properties

Compound Name1-(5-fluoropentyl)triazol-4-amine
PubChem CID165472005
Molecular FormulaC7H13FN4
Molecular Weight172.21 g/mol
Exact Mass172.11
IUPAC Name1-(5-fluoropentyl)triazol-4-amine
SMILESNc1cn(CCCCCF)nn1
InChIInChI=1S/C7H13FN4/c8-4-2-1-3-5-12-6-7(9)10-11-12/h6H,1-5,9H2
InChIKeyBISLXVXGHKIKOZ-UHFFFAOYSA-N
XLogP1.00
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(5-fluoropentyl)triazol-4-amine?
The IUPAC name of 1-(5-fluoropentyl)triazol-4-amine (CID 165472005) is 1-(5-fluoropentyl)triazol-4-amine.
What is the SMILES notation for 1-(5-fluoropentyl)triazol-4-amine?
The canonical SMILES for 1-(5-fluoropentyl)triazol-4-amine is Nc1cn(CCCCCF)nn1.
What is the InChIKey of 1-(5-fluoropentyl)triazol-4-amine?
The InChIKey is BISLXVXGHKIKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN4/c8-4-2-1-3-5-12-6-7(9)10-11-12/h6H,1-5,9H2.
What are the key properties of 1-(5-fluoropentyl)triazol-4-amine?
1-(5-fluoropentyl)triazol-4-amine has a molecular weight of 172.21 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropentyl)triazol-4-amine is sourced from PubChem (CID 165472005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).