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

C14H15N7S — CID 155711786

IUPAC3-methyl-5-[(8R)-8-methyl-7-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole
SMILESCc1nsc(-c2nnc3n2CCN(c2cccnc2)[C@@H]3C)n1
InChIInChI=1S/C14H15N7S/c1-9-12-17-18-13(14-16-10(2)19-22-14)21(12)7-6-20(9)11-4-3-5-15-8-11/h3-5,8-9H,6-7H2,1-2H3/t9-/m1/s1
InChIKeyQJEGWFAPQRPBRL-SECBINFHSA-N
MW313.39 g/mol
LogP2.08
Rot. Bonds2

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

3-methyl-5-[(8R)-8-methyl-7-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole (PubChem CID 155711786) has the molecular formula C14H15N7S and a molecular weight of 313.39 g/mol. Its IUPAC name is 3-methyl-5-[(8R)-8-methyl-7-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-[(8R)-8-methyl-7-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole
PubChem CID155711786
Molecular FormulaC14H15N7S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC Name3-methyl-5-[(8R)-8-methyl-7-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole
SMILESCc1nsc(-c2nnc3n2CCN(c2cccnc2)[C@@H]3C)n1
InChIInChI=1S/C14H15N7S/c1-9-12-17-18-13(14-16-10(2)19-22-14)21(12)7-6-20(9)11-4-3-5-15-8-11/h3-5,8-9H,6-7H2,1-2H3/t9-/m1/s1
InChIKeyQJEGWFAPQRPBRL-SECBINFHSA-N
XLogP2.08
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(8R)-8-methyl-7-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-[(8R)-8-methyl-7-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole (CID 155711786) is 3-methyl-5-[(8R)-8-methyl-7-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-[(8R)-8-methyl-7-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-[(8R)-8-methyl-7-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole is Cc1nsc(-c2nnc3n2CCN(c2cccnc2)[C@@H]3C)n1.
What is the InChIKey of 3-methyl-5-[(8R)-8-methyl-7-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole?
The InChIKey is QJEGWFAPQRPBRL-SECBINFHSA-N. The full InChI is InChI=1S/C14H15N7S/c1-9-12-17-18-13(14-16-10(2)19-22-14)21(12)7-6-20(9)11-4-3-5-15-8-11/h3-5,8-9H,6-7H2,1-2H3/t9-/m1/s1.
What are the key properties of 3-methyl-5-[(8R)-8-methyl-7-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole?
3-methyl-5-[(8R)-8-methyl-7-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole has a molecular weight of 313.39 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(8R)-8-methyl-7-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 155711786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).