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

C12H20F3N5O — CID 114357383

IUPAC3-amino-4-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-1-ol
SMILESCC(C)C(N)C(CO)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H20F3N5O/c1-7(2)10(16)8(6-21)19-3-4-20-9(5-19)17-18-11(20)12(13,14)15/h7-8,10,21H,3-6,16H2,1-2H3
InChIKeyFHINXKXNGJAPAJ-UHFFFAOYSA-N
MW307.32 g/mol
LogP0.46
Rot. Bonds4

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

3-amino-4-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-1-ol (PubChem CID 114357383) has the molecular formula C12H20F3N5O and a molecular weight of 307.32 g/mol. Its IUPAC name is 3-amino-4-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-1-ol.

Molecular Properties

Compound Name3-amino-4-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-1-ol
PubChem CID114357383
Molecular FormulaC12H20F3N5O
Molecular Weight307.32 g/mol
Exact Mass307.16
IUPAC Name3-amino-4-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-1-ol
SMILESCC(C)C(N)C(CO)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H20F3N5O/c1-7(2)10(16)8(6-21)19-3-4-20-9(5-19)17-18-11(20)12(13,14)15/h7-8,10,21H,3-6,16H2,1-2H3
InChIKeyFHINXKXNGJAPAJ-UHFFFAOYSA-N
XLogP0.46
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-1-ol?
The IUPAC name of 3-amino-4-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-1-ol (CID 114357383) is 3-amino-4-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-1-ol.
What is the SMILES notation for 3-amino-4-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-1-ol?
The canonical SMILES for 3-amino-4-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-1-ol is CC(C)C(N)C(CO)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 3-amino-4-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-1-ol?
The InChIKey is FHINXKXNGJAPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5O/c1-7(2)10(16)8(6-21)19-3-4-20-9(5-19)17-18-11(20)12(13,14)15/h7-8,10,21H,3-6,16H2,1-2H3.
What are the key properties of 3-amino-4-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-1-ol?
3-amino-4-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-1-ol has a molecular weight of 307.32 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-1-ol is sourced from PubChem (CID 114357383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).