Skip to content

N-propyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine

C13H22F3N5 — CID 64576095

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-propyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine
SMILESCCCNC(C)C(C)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C13H22F3N5/c1-4-5-17-9(2)10(3)20-6-7-21-11(8-20)18-19-12(21)13(14,15)16/h9-10,17H,4-8H2,1-3H3
InChIKeySIOVKKANBREUSY-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.89
Rot. Bonds5

About N-propyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine

N-propyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine (PubChem CID 64576095) has the molecular formula C13H22F3N5 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-propyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine.

Molecular Properties

Compound NameN-propyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine
PubChem CID64576095
Molecular FormulaC13H22F3N5
Molecular Weight305.35 g/mol
Exact Mass305.18
IUPAC NameN-propyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine
SMILESCCCNC(C)C(C)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C13H22F3N5/c1-4-5-17-9(2)10(3)20-6-7-21-11(8-20)18-19-12(21)13(14,15)16/h9-10,17H,4-8H2,1-3H3
InChIKeySIOVKKANBREUSY-UHFFFAOYSA-N
XLogP1.89
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-propyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine?
The IUPAC name of N-propyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine (CID 64576095) is N-propyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine.
What is the SMILES notation for N-propyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine?
The canonical SMILES for N-propyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine is CCCNC(C)C(C)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of N-propyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine?
The InChIKey is SIOVKKANBREUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N5/c1-4-5-17-9(2)10(3)20-6-7-21-11(8-20)18-19-12(21)13(14,15)16/h9-10,17H,4-8H2,1-3H3.
What are the key properties of N-propyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine?
N-propyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine has a molecular weight of 305.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine is sourced from PubChem (CID 64576095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.