3-propyl-N-(5,5,5-trifluoropentyl)triazol-4-amine

C10H17F3N4 — CID 114222840

IUPAC3-propyl-N-(5,5,5-trifluoropentyl)triazol-4-amine
SMILESCCCn1nncc1NCCCCC(F)(F)F
InChIInChI=1S/C10H17F3N4/c1-2-7-17-9(8-15-16-17)14-6-4-3-5-10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyIKGDEIZHBHGINB-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.83
Rot. Bonds7

About 3-propyl-N-(5,5,5-trifluoropentyl)triazol-4-amine

3-propyl-N-(5,5,5-trifluoropentyl)triazol-4-amine (PubChem CID 114222840) has the molecular formula C10H17F3N4 and a molecular weight of 250.27 g/mol. Its IUPAC name is 3-propyl-N-(5,5,5-trifluoropentyl)triazol-4-amine.

Molecular Properties

Compound Name3-propyl-N-(5,5,5-trifluoropentyl)triazol-4-amine
PubChem CID114222840
Molecular FormulaC10H17F3N4
Molecular Weight250.27 g/mol
Exact Mass250.14
IUPAC Name3-propyl-N-(5,5,5-trifluoropentyl)triazol-4-amine
SMILESCCCn1nncc1NCCCCC(F)(F)F
InChIInChI=1S/C10H17F3N4/c1-2-7-17-9(8-15-16-17)14-6-4-3-5-10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyIKGDEIZHBHGINB-UHFFFAOYSA-N
XLogP2.83
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.83
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 3-propyl-N-(5,5,5-trifluoropentyl)triazol-4-amine?
The IUPAC name of 3-propyl-N-(5,5,5-trifluoropentyl)triazol-4-amine (CID 114222840) is 3-propyl-N-(5,5,5-trifluoropentyl)triazol-4-amine.
What is the SMILES notation for 3-propyl-N-(5,5,5-trifluoropentyl)triazol-4-amine?
The canonical SMILES for 3-propyl-N-(5,5,5-trifluoropentyl)triazol-4-amine is CCCn1nncc1NCCCCC(F)(F)F.
What is the InChIKey of 3-propyl-N-(5,5,5-trifluoropentyl)triazol-4-amine?
The InChIKey is IKGDEIZHBHGINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4/c1-2-7-17-9(8-15-16-17)14-6-4-3-5-10(11,12)13/h8,14H,2-7H2,1H3.
What are the key properties of 3-propyl-N-(5,5,5-trifluoropentyl)triazol-4-amine?
3-propyl-N-(5,5,5-trifluoropentyl)triazol-4-amine has a molecular weight of 250.27 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-N-(5,5,5-trifluoropentyl)triazol-4-amine is sourced from PubChem (CID 114222840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).