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

C15H16N6OS — CID 118739362

IUPAC[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone
SMILESCC1c2ncc(Cn3cncn3)n2CCN1C(=O)c1ccsc1
InChIInChI=1S/C15H16N6OS/c1-11-14-17-6-13(7-19-10-16-9-18-19)21(14)4-3-20(11)15(22)12-2-5-23-8-12/h2,5-6,8-11H,3-4,7H2,1H3
InChIKeyYAEZHRZFZXLXOF-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.80
Rot. Bonds3

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

[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone (PubChem CID 118739362) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is [8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone
PubChem CID118739362
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone
SMILESCC1c2ncc(Cn3cncn3)n2CCN1C(=O)c1ccsc1
InChIInChI=1S/C15H16N6OS/c1-11-14-17-6-13(7-19-10-16-9-18-19)21(14)4-3-20(11)15(22)12-2-5-23-8-12/h2,5-6,8-11H,3-4,7H2,1H3
InChIKeyYAEZHRZFZXLXOF-UHFFFAOYSA-N
XLogP1.80
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Thiophen-3-yl-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 97467140
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
N,N-dimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 97468750
N-{trans-3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]cyclobutyl}thiophene-3-carboxamide
CID 91796672
(4-(3-Methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl)(thiophen-3-yl)methanone
CID 91818622
7-methyl-9-[(3S)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]purin-8-one
CID 97943757
8-methyl-7-(thiophen-3-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155825163
[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155831097
7-(thiophen-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155832485
[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155847035
N-[[7-(thiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 97384470
N-(1-{[1,2,4]triazolo[4,3-a]pyrazin-8-yl}pyrrolidin-3-yl)thiophene-3-carboxamide
CID 119104887

Frequently Asked Questions

What is the IUPAC name of [8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone?
The IUPAC name of [8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone (CID 118739362) is [8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone is CC1c2ncc(Cn3cncn3)n2CCN1C(=O)c1ccsc1.
What is the InChIKey of [8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone?
The InChIKey is YAEZHRZFZXLXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-11-14-17-6-13(7-19-10-16-9-18-19)21(14)4-3-20(11)15(22)12-2-5-23-8-12/h2,5-6,8-11H,3-4,7H2,1H3.
What are the key properties of [8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone?
[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone has a molecular weight of 328.40 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 118739362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).