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

C10H14N6S — CID 89493228

IUPAC(8R)-8-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine
SMILESCc1csc(-c2nnc3n2CCN(N)[C@@H]3C)n1
InChIInChI=1S/C10H14N6S/c1-6-5-17-10(12-6)9-14-13-8-7(2)16(11)4-3-15(8)9/h5,7H,3-4,11H2,1-2H3/t7-/m1/s1
InChIKeyPVWQLHVDPCUADX-SSDOTTSWSA-N
MW250.33 g/mol
LogP0.96
Rot. Bonds1

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

(8R)-8-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine (PubChem CID 89493228) has the molecular formula C10H14N6S and a molecular weight of 250.33 g/mol. Its IUPAC name is (8R)-8-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine.

Molecular Properties

Compound Name(8R)-8-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine
PubChem CID89493228
Molecular FormulaC10H14N6S
Molecular Weight250.33 g/mol
Exact Mass250.10
IUPAC Name(8R)-8-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine
SMILESCc1csc(-c2nnc3n2CCN(N)[C@@H]3C)n1
InChIInChI=1S/C10H14N6S/c1-6-5-17-10(12-6)9-14-13-8-7(2)16(11)4-3-15(8)9/h5,7H,3-4,11H2,1-2H3/t7-/m1/s1
InChIKeyPVWQLHVDPCUADX-SSDOTTSWSA-N
XLogP0.96
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.96
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)-8-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine?
The IUPAC name of (8R)-8-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine (CID 89493228) is (8R)-8-methyl-3-(4-methyl-1,3-thiazol-2-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-(4-methyl-1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine?
The canonical SMILES for (8R)-8-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine is Cc1csc(-c2nnc3n2CCN(N)[C@@H]3C)n1.
What is the InChIKey of (8R)-8-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine?
The InChIKey is PVWQLHVDPCUADX-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14N6S/c1-6-5-17-10(12-6)9-14-13-8-7(2)16(11)4-3-15(8)9/h5,7H,3-4,11H2,1-2H3/t7-/m1/s1.
What are the key properties of (8R)-8-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine?
(8R)-8-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine has a molecular weight of 250.33 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine is sourced from PubChem (CID 89493228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).