2-thiophen-3-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

C15H16N6OS — CID 97467520

IUPAC2-thiophen-3-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESO=C(Cc1ccsc1)N1CCn2cc(Cn3cncn3)nc2C1
InChIInChI=1S/C15H16N6OS/c22-15(5-12-1-4-23-9-12)20-3-2-19-6-13(18-14(19)8-20)7-21-11-16-10-17-21/h1,4,6,9-11H,2-3,5,7-8H2
InChIKeyIZZOCTDEWZEOOO-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.17
Rot. Bonds4

About 2-thiophen-3-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

2-thiophen-3-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (PubChem CID 97467520) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-thiophen-3-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-thiophen-3-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
PubChem CID97467520
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name2-thiophen-3-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESO=C(Cc1ccsc1)N1CCn2cc(Cn3cncn3)nc2C1
InChIInChI=1S/C15H16N6OS/c22-15(5-12-1-4-23-9-12)20-3-2-19-6-13(18-14(19)8-20)7-21-11-16-10-17-21/h1,4,6,9-11H,2-3,5,7-8H2
InChIKeyIZZOCTDEWZEOOO-UHFFFAOYSA-N
XLogP1.17
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-thiophen-3-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (CID 97467520) is 2-thiophen-3-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-thiophen-3-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-thiophen-3-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is O=C(Cc1ccsc1)N1CCn2cc(Cn3cncn3)nc2C1.
What is the InChIKey of 2-thiophen-3-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The InChIKey is IZZOCTDEWZEOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c22-15(5-12-1-4-23-9-12)20-3-2-19-6-13(18-14(19)8-20)7-21-11-16-10-17-21/h1,4,6,9-11H,2-3,5,7-8H2.
What are the key properties of 2-thiophen-3-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
2-thiophen-3-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone has a molecular weight of 328.40 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 97467520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).