2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride

C14H14ClN5S — CID 67451970

IUPAC2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride
SMILESCl.c1ccc(-c2nc(-c3nnc4n3CCNC4)cs2)cc1
InChIInChI=1S/C14H13N5S.ClH/c1-2-4-10(5-3-1)14-16-11(9-20-14)13-18-17-12-8-15-6-7-19(12)13;/h1-5,9,15H,6-8H2;1H
InChIKeyFJXUUIADZRJCPM-UHFFFAOYSA-N
MW319.82 g/mol
LogP2.59
Rot. Bonds2

About 2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride

2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride (PubChem CID 67451970) has the molecular formula C14H14ClN5S and a molecular weight of 319.82 g/mol. Its IUPAC name is 2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride
PubChem CID67451970
Molecular FormulaC14H14ClN5S
Molecular Weight319.82 g/mol
Exact Mass319.07
IUPAC Name2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride
SMILESCl.c1ccc(-c2nc(-c3nnc4n3CCNC4)cs2)cc1
InChIInChI=1S/C14H13N5S.ClH/c1-2-4-10(5-3-1)14-16-11(9-20-14)13-18-17-12-8-15-6-7-19(12)13;/h1-5,9,15H,6-8H2;1H
InChIKeyFJXUUIADZRJCPM-UHFFFAOYSA-N
XLogP2.59
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride?
The IUPAC name of 2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride (CID 67451970) is 2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride is Cl.c1ccc(-c2nc(-c3nnc4n3CCNC4)cs2)cc1.
What is the InChIKey of 2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride?
The InChIKey is FJXUUIADZRJCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5S.ClH/c1-2-4-10(5-3-1)14-16-11(9-20-14)13-18-17-12-8-15-6-7-19(12)13;/h1-5,9,15H,6-8H2;1H.
What are the key properties of 2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride?
2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride has a molecular weight of 319.82 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 67451970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).