3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine

C13H12N8S — CID 16666303

IUPAC3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(Nc2nccn3c(-c4cnn(C)c4)cnc23)n1
InChIInChI=1S/C13H12N8S/c1-8-17-13(22-19-8)18-11-12-15-6-10(21(12)4-3-14-11)9-5-16-20(2)7-9/h3-7H,1-2H3,(H,14,17,18,19)
InChIKeyLBBOLRRMFZXOJD-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.03
Rot. Bonds3

About 3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine

3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine (PubChem CID 16666303) has the molecular formula C13H12N8S and a molecular weight of 312.36 g/mol. Its IUPAC name is 3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine
PubChem CID16666303
Molecular FormulaC13H12N8S
Molecular Weight312.36 g/mol
Exact Mass312.09
IUPAC Name3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(Nc2nccn3c(-c4cnn(C)c4)cnc23)n1
InChIInChI=1S/C13H12N8S/c1-8-17-13(22-19-8)18-11-12-15-6-10(21(12)4-3-14-11)9-5-16-20(2)7-9/h3-7H,1-2H3,(H,14,17,18,19)
InChIKeyLBBOLRRMFZXOJD-UHFFFAOYSA-N
XLogP2.03
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine (CID 16666303) is 3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine is Cc1nsc(Nc2nccn3c(-c4cnn(C)c4)cnc23)n1.
What is the InChIKey of 3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine?
The InChIKey is LBBOLRRMFZXOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N8S/c1-8-17-13(22-19-8)18-11-12-15-6-10(21(12)4-3-14-11)9-5-16-20(2)7-9/h3-7H,1-2H3,(H,14,17,18,19).
What are the key properties of 3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine?
3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine has a molecular weight of 312.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 16666303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).