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

C9H11N5O — CID 96618046

IUPAC4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole
SMILESCc1coc(-c2nnc3n2CCNC3)n1
InChIInChI=1S/C9H11N5O/c1-6-5-15-9(11-6)8-13-12-7-4-10-2-3-14(7)8/h5,10H,2-4H2,1H3
InChIKeySHYXJXTVLJVQJT-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.34
Rot. Bonds1

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

4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole (PubChem CID 96618046) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole
PubChem CID96618046
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole
SMILESCc1coc(-c2nnc3n2CCNC3)n1
InChIInChI=1S/C9H11N5O/c1-6-5-15-9(11-6)8-13-12-7-4-10-2-3-14(7)8/h5,10H,2-4H2,1H3
InChIKeySHYXJXTVLJVQJT-UHFFFAOYSA-N
XLogP0.34
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.34
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-oxazole
CID 67452161
3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
CID 67452805
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-methyl-2-(4-piperazin-1-ylphenyl)-1,3-oxazole
CID 82478157
4-methyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole
CID 62587693
3-(1-methylimidazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 125448983
5-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride
CID 67454580
3-(2,4,6-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 65100206
3-pyrimidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 66846527
3-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
CID 67454095
3-(3-chlorothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 80641653
3-(4-methoxythiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 81128790

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole?
The IUPAC name of 4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole (CID 96618046) is 4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole?
The canonical SMILES for 4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole is Cc1coc(-c2nnc3n2CCNC3)n1.
What is the InChIKey of 4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole?
The InChIKey is SHYXJXTVLJVQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-6-5-15-9(11-6)8-13-12-7-4-10-2-3-14(7)8/h5,10H,2-4H2,1H3.
What are the key properties of 4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole?
4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole has a molecular weight of 205.22 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole is sourced from PubChem (CID 96618046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).