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

C10H16F3N5 — CID 64575134

IUPAC2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine
SMILESCC(C)(CN)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C10H16F3N5/c1-9(2,6-14)17-3-4-18-7(5-17)15-16-8(18)10(11,12)13/h3-6,14H2,1-2H3
InChIKeyYOCDRTFXPJWAMA-UHFFFAOYSA-N
MW263.27 g/mol
LogP0.85
Rot. Bonds2

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

2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine (PubChem CID 64575134) has the molecular formula C10H16F3N5 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine
PubChem CID64575134
Molecular FormulaC10H16F3N5
Molecular Weight263.27 g/mol
Exact Mass263.14
IUPAC Name2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine
SMILESCC(C)(CN)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C10H16F3N5/c1-9(2,6-14)17-3-4-18-7(5-17)15-16-8(18)10(11,12)13/h3-6,14H2,1-2H3
InChIKeyYOCDRTFXPJWAMA-UHFFFAOYSA-N
XLogP0.85
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine?
The IUPAC name of 2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine (CID 64575134) is 2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine?
The canonical SMILES for 2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine is CC(C)(CN)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine?
The InChIKey is YOCDRTFXPJWAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5/c1-9(2,6-14)17-3-4-18-7(5-17)15-16-8(18)10(11,12)13/h3-6,14H2,1-2H3.
What are the key properties of 2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine?
2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine has a molecular weight of 263.27 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine is sourced from PubChem (CID 64575134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).