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

C14H14N6S — CID 103382110

IUPAC5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-phenyl-1,2-thiazol-3-amine
SMILESNc1nsc(N2CCn3cnnc3C2)c1-c1ccccc1
InChIInChI=1S/C14H14N6S/c15-13-12(10-4-2-1-3-5-10)14(21-18-13)19-6-7-20-9-16-17-11(20)8-19/h1-5,9H,6-8H2,(H2,15,18)
InChIKeyMXQYTYDFTOYINY-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.00
Rot. Bonds2

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

5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-phenyl-1,2-thiazol-3-amine (PubChem CID 103382110) has the molecular formula C14H14N6S and a molecular weight of 298.38 g/mol. Its IUPAC name is 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-phenyl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-phenyl-1,2-thiazol-3-amine
PubChem CID103382110
Molecular FormulaC14H14N6S
Molecular Weight298.38 g/mol
Exact Mass298.10
IUPAC Name5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-phenyl-1,2-thiazol-3-amine
SMILESNc1nsc(N2CCn3cnnc3C2)c1-c1ccccc1
InChIInChI=1S/C14H14N6S/c15-13-12(10-4-2-1-3-5-10)14(21-18-13)19-6-7-20-9-16-17-11(20)8-19/h1-5,9H,6-8H2,(H2,15,18)
InChIKeyMXQYTYDFTOYINY-UHFFFAOYSA-N
XLogP2.00
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-phenyl-1,2-thiazol-3-amine?
The IUPAC name of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-phenyl-1,2-thiazol-3-amine (CID 103382110) is 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-phenyl-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-phenyl-1,2-thiazol-3-amine?
The canonical SMILES for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-phenyl-1,2-thiazol-3-amine is Nc1nsc(N2CCn3cnnc3C2)c1-c1ccccc1.
What is the InChIKey of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-phenyl-1,2-thiazol-3-amine?
The InChIKey is MXQYTYDFTOYINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6S/c15-13-12(10-4-2-1-3-5-10)14(21-18-13)19-6-7-20-9-16-17-11(20)8-19/h1-5,9H,6-8H2,(H2,15,18).
What are the key properties of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-phenyl-1,2-thiazol-3-amine?
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-phenyl-1,2-thiazol-3-amine has a molecular weight of 298.38 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-phenyl-1,2-thiazol-3-amine is sourced from PubChem (CID 103382110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).