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

C10H14ClF3N4 — CID 69361152

IUPAC8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride
SMILESCl.FC(F)(F)c1nc2n(n1)CCNC2CC1CC1
InChIInChI=1S/C10H13F3N4.ClH/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;1H
InChIKeyHBNBAEJFRLXHHE-UHFFFAOYSA-N
MW282.70 g/mol
LogP2.16
Rot. Bonds2

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

8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride (PubChem CID 69361152) has the molecular formula C10H14ClF3N4 and a molecular weight of 282.70 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride
PubChem CID69361152
Molecular FormulaC10H14ClF3N4
Molecular Weight282.70 g/mol
Exact Mass282.09
IUPAC Name8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride
SMILESCl.FC(F)(F)c1nc2n(n1)CCNC2CC1CC1
InChIInChI=1S/C10H13F3N4.ClH/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;1H
InChIKeyHBNBAEJFRLXHHE-UHFFFAOYSA-N
XLogP2.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride with MolForge

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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;hydrochloride?
The IUPAC name of 8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride (CID 69361152) is 8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride.
What is the SMILES notation for 8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride?
The canonical SMILES for 8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride is Cl.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;hydrochloride?
The InChIKey is HBNBAEJFRLXHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4.ClH/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;1H.
What are the key properties of 8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride?
8-(cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride has a molecular weight of 282.70 g/mol, XLogP of 2.16, 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;hydrochloride is sourced from PubChem (CID 69361152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).