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

C9H13N7S — CID 89493168

IUPAC(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine
SMILESCc1nsc(-c2nnc3n2CCN(N)[C@@H]3C)n1
InChIInChI=1S/C9H13N7S/c1-5-7-12-13-8(9-11-6(2)14-17-9)15(7)3-4-16(5)10/h5H,3-4,10H2,1-2H3/t5-/m1/s1
InChIKeyUPJRGIOHUFLHRR-RXMQYKEDSA-N
MW251.32 g/mol
LogP0.36
Rot. Bonds1

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

(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine (PubChem CID 89493168) has the molecular formula C9H13N7S and a molecular weight of 251.32 g/mol. Its IUPAC name is (8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine.

Molecular Properties

Compound Name(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine
PubChem CID89493168
Molecular FormulaC9H13N7S
Molecular Weight251.32 g/mol
Exact Mass251.10
IUPAC Name(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine
SMILESCc1nsc(-c2nnc3n2CCN(N)[C@@H]3C)n1
InChIInChI=1S/C9H13N7S/c1-5-7-12-13-8(9-11-6(2)14-17-9)15(7)3-4-16(5)10/h5H,3-4,10H2,1-2H3/t5-/m1/s1
InChIKeyUPJRGIOHUFLHRR-RXMQYKEDSA-N
XLogP0.36
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine?
The IUPAC name of (8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine (CID 89493168) is (8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine.
What is the SMILES notation for (8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine?
The canonical SMILES for (8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine is Cc1nsc(-c2nnc3n2CCN(N)[C@@H]3C)n1.
What is the InChIKey of (8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine?
The InChIKey is UPJRGIOHUFLHRR-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H13N7S/c1-5-7-12-13-8(9-11-6(2)14-17-9)15(7)3-4-16(5)10/h5H,3-4,10H2,1-2H3/t5-/m1/s1.
What are the key properties of (8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine?
(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine has a molecular weight of 251.32 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine is sourced from PubChem (CID 89493168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).