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

C14H15N7OS — CID 118739357

IUPAC[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone
SMILESCC1c2ncc(Cn3cncn3)n2CCN1C(=O)c1cscn1
InChIInChI=1S/C14H15N7OS/c1-10-13-16-4-11(5-19-8-15-7-18-19)21(13)3-2-20(10)14(22)12-6-23-9-17-12/h4,6-10H,2-3,5H2,1H3
InChIKeyIPHVDPDZZOLXNL-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.20
Rot. Bonds3

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

[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 118739357) has the molecular formula C14H15N7OS and a molecular weight of 329.39 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]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID118739357
Molecular FormulaC14H15N7OS
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC Name[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone
SMILESCC1c2ncc(Cn3cncn3)n2CCN1C(=O)c1cscn1
InChIInChI=1S/C14H15N7OS/c1-10-13-16-4-11(5-19-8-15-7-18-19)21(13)3-2-20(10)14(22)12-6-23-9-17-12/h4,6-10H,2-3,5H2,1H3
InChIKeyIPHVDPDZZOLXNL-UHFFFAOYSA-N
XLogP1.20
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone with MolForge

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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]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone (CID 118739357) is [8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone.
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]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone is CC1c2ncc(Cn3cncn3)n2CCN1C(=O)c1cscn1.
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]-(1,3-thiazol-4-yl)methanone?
The InChIKey is IPHVDPDZZOLXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7OS/c1-10-13-16-4-11(5-19-8-15-7-18-19)21(13)3-2-20(10)14(22)12-6-23-9-17-12/h4,6-10H,2-3,5H2,1H3.
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]-(1,3-thiazol-4-yl)methanone?
[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 329.39 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 8 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]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 118739357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).