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

C12H18F3N5O — CID 64576092

IUPAC1-(cyclopropylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
SMILESOC(CNC1CC1)CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H18F3N5O/c13-12(14,15)11-18-17-10-7-19(3-4-20(10)11)6-9(21)5-16-8-1-2-8/h8-9,16,21H,1-7H2
InChIKeyUPFBFJUZKJMTIA-UHFFFAOYSA-N
MW305.30 g/mol
LogP0.23
Rot. Bonds5

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

1-(cyclopropylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol (PubChem CID 64576092) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
PubChem CID64576092
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name1-(cyclopropylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
SMILESOC(CNC1CC1)CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H18F3N5O/c13-12(14,15)11-18-17-10-7-19(3-4-20(10)11)6-9(21)5-16-8-1-2-8/h8-9,16,21H,1-7H2
InChIKeyUPFBFJUZKJMTIA-UHFFFAOYSA-N
XLogP0.23
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol (CID 64576092) is 1-(cyclopropylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol is OC(CNC1CC1)CN1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol?
The InChIKey is UPFBFJUZKJMTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c13-12(14,15)11-18-17-10-7-19(3-4-20(10)11)6-9(21)5-16-8-1-2-8/h8-9,16,21H,1-7H2.
What are the key properties of 1-(cyclopropylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol?
1-(cyclopropylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol has a molecular weight of 305.30 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol is sourced from PubChem (CID 64576092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).