(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C14H18F3N5O — CID 119798585

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESNC1C2CCC(C2)C1C(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C14H18F3N5O/c15-14(16,17)13-20-19-9-6-21(3-4-22(9)13)12(23)10-7-1-2-8(5-7)11(10)18/h7-8,10-11H,1-6,18H2
InChIKeyLPWDFCOZUCDIKP-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.01
Rot. Bonds1

About (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 119798585) has the molecular formula C14H18F3N5O and a molecular weight of 329.33 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID119798585
Molecular FormulaC14H18F3N5O
Molecular Weight329.33 g/mol
Exact Mass329.15
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESNC1C2CCC(C2)C1C(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C14H18F3N5O/c15-14(16,17)13-20-19-9-6-21(3-4-22(9)13)12(23)10-7-1-2-8(5-7)11(10)18/h7-8,10-11H,1-6,18H2
InChIKeyLPWDFCOZUCDIKP-UHFFFAOYSA-N
XLogP1.01
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 119798585) is (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is NC1C2CCC(C2)C1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is LPWDFCOZUCDIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O/c15-14(16,17)13-20-19-9-6-21(3-4-22(9)13)12(23)10-7-1-2-8(5-7)11(10)18/h7-8,10-11H,1-6,18H2.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 329.33 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 119798585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).