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

C15H20N6O2 — CID 118739356

IUPAC[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCC1c2ncc(Cn3cncn3)n2CCN1C(=O)[C@H]1CCCO1
InChIInChI=1S/C15H20N6O2/c1-11-14-17-7-12(8-19-10-16-9-18-19)21(14)5-4-20(11)15(22)13-3-2-6-23-13/h7,9-11,13H,2-6,8H2,1H3/t11?,13-/m1/s1
InChIKeyKDHCFSRQGHUKGW-GLGOKHISSA-N
MW316.37 g/mol
LogP0.61
Rot. Bonds3

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

[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 118739356) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 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]-[(2R)-oxolan-2-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]-[(2R)-oxolan-2-yl]methanone
PubChem CID118739356
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCC1c2ncc(Cn3cncn3)n2CCN1C(=O)[C@H]1CCCO1
InChIInChI=1S/C15H20N6O2/c1-11-14-17-7-12(8-19-10-16-9-18-19)21(14)5-4-20(11)15(22)13-3-2-6-23-13/h7,9-11,13H,2-6,8H2,1H3/t11?,13-/m1/s1
InChIKeyKDHCFSRQGHUKGW-GLGOKHISSA-N
XLogP0.61
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[(2R)-oxolan-2-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]-[(2R)-oxolan-2-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]-[(2R)-oxolan-2-yl]methanone (CID 118739356) is [8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[(2R)-oxolan-2-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]-[(2R)-oxolan-2-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]-[(2R)-oxolan-2-yl]methanone is CC1c2ncc(Cn3cncn3)n2CCN1C(=O)[C@H]1CCCO1.
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]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is KDHCFSRQGHUKGW-GLGOKHISSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-11-14-17-7-12(8-19-10-16-9-18-19)21(14)5-4-20(11)15(22)13-3-2-6-23-13/h7,9-11,13H,2-6,8H2,1H3/t11?,13-/m1/s1.
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]-[(2R)-oxolan-2-yl]methanone?
[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 316.37 g/mol, XLogP of 0.61, 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]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 118739356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).