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

C14H13N5O — CID 67452161

IUPAC2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole
SMILESc1ccc(-c2nc(-c3nnc4n3CCNC4)co2)cc1
InChIInChI=1S/C14H13N5O/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
InChIKeyOKWQREHIROGICJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.70
Rot. Bonds2

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

2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole (PubChem CID 67452161) has the molecular formula C14H13N5O and a molecular weight of 267.29 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-oxazole.

Molecular Properties

Compound Name2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole
PubChem CID67452161
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole
SMILESc1ccc(-c2nc(-c3nnc4n3CCNC4)co2)cc1
InChIInChI=1S/C14H13N5O/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
InChIKeyOKWQREHIROGICJ-UHFFFAOYSA-N
XLogP1.70
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride
CID 67451970
4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole
CID 96618046
3-(3-phenyl-1H-pyrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
CID 89388678
3-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
CID 67454095
3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
CID 67452805
3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)isoquinoline;hydrochloride
CID 71225126
3-pyrimidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 66846527
4-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-pyridinyl]morpholine;dihydrochloride
CID 67452403
2-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride
CID 89488458
4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride
CID 89488476
4-amino-3-(2-phenyl-1,3-oxazol-4-yl)-1H-1,2,4-triazole-5-thione
CID 139229785
3-(1-methylimidazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 125448983

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-oxazole?
The IUPAC name of 2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole (CID 67452161) is 2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole.
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-oxazole?
The canonical SMILES for 2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole is c1ccc(-c2nc(-c3nnc4n3CCNC4)co2)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-oxazole?
The InChIKey is OKWQREHIROGICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/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.
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-oxazole?
2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole has a molecular weight of 267.29 g/mol, XLogP of 1.70, 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-oxazole is sourced from PubChem (CID 67452161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).