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

C12H17N5O — CID 78108202

IUPAC4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(-c2nnc3n2CCNC3C)co1
InChIInChI=1S/C12H17N5O/c1-7(2)12-14-9(6-18-12)11-16-15-10-8(3)13-4-5-17(10)11/h6-8,13H,4-5H2,1-3H3
InChIKeyNMNQXBRYEKMIKK-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.72
Rot. Bonds2

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

4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-propan-2-yl-1,3-oxazole (PubChem CID 78108202) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-propan-2-yl-1,3-oxazole
PubChem CID78108202
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(-c2nnc3n2CCNC3C)co1
InChIInChI=1S/C12H17N5O/c1-7(2)12-14-9(6-18-12)11-16-15-10-8(3)13-4-5-17(10)11/h6-8,13H,4-5H2,1-3H3
InChIKeyNMNQXBRYEKMIKK-UHFFFAOYSA-N
XLogP1.72
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(8S)-8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 94502047
8-methyl-3-(2,4,5-trimethylfuran-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 65152695
4-methyl-2-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole
CID 89493217
8-methyl-3-(4-methylsulfonylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62585547
8-methyl-3-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62586991
8-methyl-3-thiophen-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62585915
8-methyl-3-(5-methyl-1-benzofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62586279
3-(3-ethyl-6-methylpyridazin-4-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 104672382
3-(4,5-dimethylthiophen-2-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 65238063
3-(2,6-difluoro-3-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 82816586
3-(5-bromo-4-methylthiophen-2-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 79996329
3-(3-fluoro-4-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62585909

Frequently Asked Questions

What is the IUPAC name of 4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-propan-2-yl-1,3-oxazole (CID 78108202) is 4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-propan-2-yl-1,3-oxazole is CC(C)c1nc(-c2nnc3n2CCNC3C)co1.
What is the InChIKey of 4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-propan-2-yl-1,3-oxazole?
The InChIKey is NMNQXBRYEKMIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-7(2)12-14-9(6-18-12)11-16-15-10-8(3)13-4-5-17(10)11/h6-8,13H,4-5H2,1-3H3.
What are the key properties of 4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-propan-2-yl-1,3-oxazole?
4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-propan-2-yl-1,3-oxazole has a molecular weight of 247.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 78108202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).