(8R)-3-(2,5-dimethyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine

C11H16N6S — CID 121258220

IUPAC(8R)-3-(2,5-dimethyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine
SMILESCc1nc(-c2nnc3n2CCN(N)[C@@H]3C)c(C)s1
InChIInChI=1S/C11H16N6S/c1-6-10-14-15-11(16(10)4-5-17(6)12)9-7(2)18-8(3)13-9/h6H,4-5,12H2,1-3H3/t6-/m1/s1
InChIKeyYYQSZGFFFXIIDR-ZCFIWIBFSA-N
MW264.36 g/mol
LogP1.27
Rot. Bonds1

About (8R)-3-(2,5-dimethyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine

(8R)-3-(2,5-dimethyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine (PubChem CID 121258220) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is (8R)-3-(2,5-dimethyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine.

Molecular Properties

Compound Name(8R)-3-(2,5-dimethyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine
PubChem CID121258220
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name(8R)-3-(2,5-dimethyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine
SMILESCc1nc(-c2nnc3n2CCN(N)[C@@H]3C)c(C)s1
InChIInChI=1S/C11H16N6S/c1-6-10-14-15-11(16(10)4-5-17(6)12)9-7(2)18-8(3)13-9/h6H,4-5,12H2,1-3H3/t6-/m1/s1
InChIKeyYYQSZGFFFXIIDR-ZCFIWIBFSA-N
XLogP1.27
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8R)-3-(2,5-dimethyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine?
The IUPAC name of (8R)-3-(2,5-dimethyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine (CID 121258220) is (8R)-3-(2,5-dimethyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine.
What is the SMILES notation for (8R)-3-(2,5-dimethyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine?
The canonical SMILES for (8R)-3-(2,5-dimethyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine is Cc1nc(-c2nnc3n2CCN(N)[C@@H]3C)c(C)s1.
What is the InChIKey of (8R)-3-(2,5-dimethyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine?
The InChIKey is YYQSZGFFFXIIDR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H16N6S/c1-6-10-14-15-11(16(10)4-5-17(6)12)9-7(2)18-8(3)13-9/h6H,4-5,12H2,1-3H3/t6-/m1/s1.
What are the key properties of (8R)-3-(2,5-dimethyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine?
(8R)-3-(2,5-dimethyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine has a molecular weight of 264.36 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-3-(2,5-dimethyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine is sourced from PubChem (CID 121258220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).