3-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C17H16F3N5 — CID 133478223

IUPAC3-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC(Nc1nccn2c(C3CC3)nnc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3N5/c1-10(12-3-2-4-13(9-12)17(18,19)20)22-14-16-24-23-15(11-5-6-11)25(16)8-7-21-14/h2-4,7-11H,5-6H2,1H3,(H,21,22)
InChIKeyRTVNINICCBFBAI-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.19
Rot. Bonds4

About 3-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 133478223) has the molecular formula C17H16F3N5 and a molecular weight of 347.34 g/mol. Its IUPAC name is 3-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID133478223
Molecular FormulaC17H16F3N5
Molecular Weight347.34 g/mol
Exact Mass347.14
IUPAC Name3-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC(Nc1nccn2c(C3CC3)nnc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3N5/c1-10(12-3-2-4-13(9-12)17(18,19)20)22-14-16-24-23-15(11-5-6-11)25(16)8-7-21-14/h2-4,7-11H,5-6H2,1H3,(H,21,22)
InChIKeyRTVNINICCBFBAI-UHFFFAOYSA-N
XLogP4.19
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 133478223) is 3-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CC(Nc1nccn2c(C3CC3)nnc12)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is RTVNINICCBFBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5/c1-10(12-3-2-4-13(9-12)17(18,19)20)22-14-16-24-23-15(11-5-6-11)25(16)8-7-21-14/h2-4,7-11H,5-6H2,1H3,(H,21,22).
What are the key properties of 3-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 347.34 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 133478223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).