8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine

C10H13F3N4 — CID 69361153

IUPAC8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
SMILESFC(F)(F)c1nc2n(n1)CCNC2CC1CC1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)9-15-8-7(5-6-1-2-6)14-3-4-17(8)16-9/h6-7,14H,1-5H2
InChIKeyNJNLTNVPCKXESQ-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.74
Rot. Bonds2

About 8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine

8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 69361153) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID69361153
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
SMILESFC(F)(F)c1nc2n(n1)CCNC2CC1CC1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)9-15-8-7(5-6-1-2-6)14-3-4-17(8)16-9/h6-7,14H,1-5H2
InChIKeyNJNLTNVPCKXESQ-UHFFFAOYSA-N
XLogP1.74
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine (CID 69361153) is 8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine is FC(F)(F)c1nc2n(n1)CCNC2CC1CC1.
What is the InChIKey of 8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is NJNLTNVPCKXESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)9-15-8-7(5-6-1-2-6)14-3-4-17(8)16-9/h6-7,14H,1-5H2.
What are the key properties of 8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine?
8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 246.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 69361153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).