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

C16H18N6OS — CID 118739132

IUPAC1-[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone
SMILESCC1c2ncc(Cn3cncn3)n2CCN1C(=O)Cc1cccs1
InChIInChI=1S/C16H18N6OS/c1-12-16-18-8-13(9-20-11-17-10-19-20)22(16)5-4-21(12)15(23)7-14-3-2-6-24-14/h2-3,6,8,10-12H,4-5,7,9H2,1H3
InChIKeyPZDHLZLAOVSHFC-UHFFFAOYSA-N
MW342.43 g/mol
LogP1.73
Rot. Bonds4

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

1-[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone (PubChem CID 118739132) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 1-[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone
PubChem CID118739132
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name1-[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone
SMILESCC1c2ncc(Cn3cncn3)n2CCN1C(=O)Cc1cccs1
InChIInChI=1S/C16H18N6OS/c1-12-16-18-8-13(9-20-11-17-10-19-20)22(16)5-4-21(12)15(23)7-14-3-2-6-24-14/h2-3,6,8,10-12H,4-5,7,9H2,1H3
InChIKeyPZDHLZLAOVSHFC-UHFFFAOYSA-N
XLogP1.73
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone (CID 118739132) is 1-[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone is CC1c2ncc(Cn3cncn3)n2CCN1C(=O)Cc1cccs1.
What is the InChIKey of 1-[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone?
The InChIKey is PZDHLZLAOVSHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-12-16-18-8-13(9-20-11-17-10-19-20)22(16)5-4-21(12)15(23)7-14-3-2-6-24-14/h2-3,6,8,10-12H,4-5,7,9H2,1H3.
What are the key properties of 1-[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone?
1-[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone has a molecular weight of 342.43 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 118739132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).