cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol;hydrochloride

C10H14ClF3N4O — CID 69363534

IUPACcyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol;hydrochloride
SMILESCl.OC(C1CC1)C1NCCn2nc(C(F)(F)F)nc21
InChIInChI=1S/C10H13F3N4O.ClH/c11-10(12,13)9-15-8-6(7(18)5-1-2-5)14-3-4-17(8)16-9;/h5-7,14,18H,1-4H2;1H
InChIKeyDSSWULVYVXBLGW-UHFFFAOYSA-N
MW298.70 g/mol
LogP1.13
Rot. Bonds2

About cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol;hydrochloride

cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol;hydrochloride (PubChem CID 69363534) has the molecular formula C10H14ClF3N4O and a molecular weight of 298.70 g/mol. Its IUPAC name is cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol;hydrochloride.

Molecular Properties

Compound Namecyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol;hydrochloride
PubChem CID69363534
Molecular FormulaC10H14ClF3N4O
Molecular Weight298.70 g/mol
Exact Mass298.08
IUPAC Namecyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol;hydrochloride
SMILESCl.OC(C1CC1)C1NCCn2nc(C(F)(F)F)nc21
InChIInChI=1S/C10H13F3N4O.ClH/c11-10(12,13)9-15-8-6(7(18)5-1-2-5)14-3-4-17(8)16-9;/h5-7,14,18H,1-4H2;1H
InChIKeyDSSWULVYVXBLGW-UHFFFAOYSA-N
XLogP1.13
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.70
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol;hydrochloride with MolForge

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Related Compounds

8-(Cyclopropylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-alpha]pyrazine hydrochloride
CID 69361152
Cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol
CID 69363535
3-Amino-3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol
CID 81250981
1-Amino-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-ol
CID 81251124
2-Amino-2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol
CID 81251566
3-Amino-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol
CID 114007839
3-amino-3-cyclopropyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-ol
CID 114357381
3-amino-4-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-1-ol
CID 114357383
2-Methyl-1-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide
CID 119153948
2-Methyl-1-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(3,3,3-trifluoro-2-hydroxypropyl)guanidine
CID 119153949
2-Methyl-1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide
CID 119153970
2-Methyl-1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(3,3,3-trifluoro-2-hydroxypropyl)guanidine
CID 119153971

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol;hydrochloride?
The IUPAC name of cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol;hydrochloride (CID 69363534) is cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol;hydrochloride.
What is the SMILES notation for cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol;hydrochloride?
The canonical SMILES for cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol;hydrochloride is Cl.OC(C1CC1)C1NCCn2nc(C(F)(F)F)nc21.
What is the InChIKey of cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol;hydrochloride?
The InChIKey is DSSWULVYVXBLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O.ClH/c11-10(12,13)9-15-8-6(7(18)5-1-2-5)14-3-4-17(8)16-9;/h5-7,14,18H,1-4H2;1H.
What are the key properties of cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol;hydrochloride?
cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol;hydrochloride has a molecular weight of 298.70 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol;hydrochloride is sourced from PubChem (CID 69363534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).