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

C10H14N6S — CID 65482915

IUPAC4-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCN2CCn3cnnc3C2)cs1
InChIInChI=1S/C10H14N6S/c11-10-13-8(6-17-10)1-2-15-3-4-16-7-12-14-9(16)5-15/h6-7H,1-5H2,(H2,11,13)
InChIKeyHJBOHOVEOBEJIQ-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.38
Rot. Bonds3

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

4-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 65482915) has the molecular formula C10H14N6S and a molecular weight of 250.33 g/mol. Its IUPAC name is 4-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID65482915
Molecular FormulaC10H14N6S
Molecular Weight250.33 g/mol
Exact Mass250.10
IUPAC Name4-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCN2CCn3cnnc3C2)cs1
InChIInChI=1S/C10H14N6S/c11-10-13-8(6-17-10)1-2-15-3-4-16-7-12-14-9(16)5-15/h6-7H,1-5H2,(H2,11,13)
InChIKeyHJBOHOVEOBEJIQ-UHFFFAOYSA-N
XLogP0.38
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,3-thiazol-2-amine (CID 65482915) is 4-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,3-thiazol-2-amine is Nc1nc(CCN2CCn3cnnc3C2)cs1.
What is the InChIKey of 4-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is HJBOHOVEOBEJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S/c11-10-13-8(6-17-10)1-2-15-3-4-16-7-12-14-9(16)5-15/h6-7H,1-5H2,(H2,11,13).
What are the key properties of 4-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,3-thiazol-2-amine?
4-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 250.33 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65482915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).