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

C10H16F3N5O — CID 64828226

IUPAC2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol
SMILESCC(N)(CO)CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C10H16F3N5O/c1-9(14,6-19)5-17-2-3-18-7(4-17)15-16-8(18)10(11,12)13/h19H,2-6,14H2,1H3
InChIKeyICDHAHUWGBFWEX-UHFFFAOYSA-N
MW279.27 g/mol
LogP-0.18
Rot. Bonds3

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

2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol (PubChem CID 64828226) has the molecular formula C10H16F3N5O and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol
PubChem CID64828226
Molecular FormulaC10H16F3N5O
Molecular Weight279.27 g/mol
Exact Mass279.13
IUPAC Name2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol
SMILESCC(N)(CO)CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C10H16F3N5O/c1-9(14,6-19)5-17-2-3-18-7(4-17)15-16-8(18)10(11,12)13/h19H,2-6,14H2,1H3
InChIKeyICDHAHUWGBFWEX-UHFFFAOYSA-N
XLogP-0.18
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol?
The IUPAC name of 2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol (CID 64828226) is 2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol?
The canonical SMILES for 2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol is CC(N)(CO)CN1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol?
The InChIKey is ICDHAHUWGBFWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5O/c1-9(14,6-19)5-17-2-3-18-7(4-17)15-16-8(18)10(11,12)13/h19H,2-6,14H2,1H3.
What are the key properties of 2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol?
2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol has a molecular weight of 279.27 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol is sourced from PubChem (CID 64828226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).