1-(3-propyltriazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C10H17F3N4O — CID 103147989

IUPAC1-(3-propyltriazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCCn1nncc1C(N)CCOCC(F)(F)F
InChIInChI=1S/C10H17F3N4O/c1-2-4-17-9(6-15-16-17)8(14)3-5-18-7-10(11,12)13/h6,8H,2-5,7,14H2,1H3
InChIKeySAQCUIAGDXNXRF-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.66
Rot. Bonds7

About 1-(3-propyltriazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

1-(3-propyltriazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103147989) has the molecular formula C10H17F3N4O and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-(3-propyltriazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(3-propyltriazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103147989
Molecular FormulaC10H17F3N4O
Molecular Weight266.27 g/mol
Exact Mass266.14
IUPAC Name1-(3-propyltriazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCCn1nncc1C(N)CCOCC(F)(F)F
InChIInChI=1S/C10H17F3N4O/c1-2-4-17-9(6-15-16-17)8(14)3-5-18-7-10(11,12)13/h6,8H,2-5,7,14H2,1H3
InChIKeySAQCUIAGDXNXRF-UHFFFAOYSA-N
XLogP1.66
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-propyltriazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(3-propyltriazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103147989) is 1-(3-propyltriazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(3-propyltriazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(3-propyltriazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is CCCn1nncc1C(N)CCOCC(F)(F)F.
What is the InChIKey of 1-(3-propyltriazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is SAQCUIAGDXNXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O/c1-2-4-17-9(6-15-16-17)8(14)3-5-18-7-10(11,12)13/h6,8H,2-5,7,14H2,1H3.
What are the key properties of 1-(3-propyltriazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(3-propyltriazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 266.27 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propyltriazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103147989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).