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

C16H22N6O2 — CID 118739715

IUPAC[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-4-yl)methanone
SMILESCC1c2ncc(Cn3cncn3)n2CCN1C(=O)C1CCOCC1
InChIInChI=1S/C16H22N6O2/c1-12-15-18-8-14(9-20-11-17-10-19-20)22(15)5-4-21(12)16(23)13-2-6-24-7-3-13/h8,10-13H,2-7,9H2,1H3
InChIKeyCKDQXUUPJLNQKG-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.85
Rot. Bonds3

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

[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-4-yl)methanone (PubChem CID 118739715) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 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]-(oxan-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]-(oxan-4-yl)methanone
PubChem CID118739715
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-4-yl)methanone
SMILESCC1c2ncc(Cn3cncn3)n2CCN1C(=O)C1CCOCC1
InChIInChI=1S/C16H22N6O2/c1-12-15-18-8-14(9-20-11-17-10-19-20)22(15)5-4-21(12)16(23)13-2-6-24-7-3-13/h8,10-13H,2-7,9H2,1H3
InChIKeyCKDQXUUPJLNQKG-UHFFFAOYSA-N
XLogP0.85
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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]-(oxan-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]-(oxan-4-yl)methanone (CID 118739715) is [8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-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]-(oxan-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]-(oxan-4-yl)methanone is CC1c2ncc(Cn3cncn3)n2CCN1C(=O)C1CCOCC1.
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]-(oxan-4-yl)methanone?
The InChIKey is CKDQXUUPJLNQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-12-15-18-8-14(9-20-11-17-10-19-20)22(15)5-4-21(12)16(23)13-2-6-24-7-3-13/h8,10-13H,2-7,9H2,1H3.
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]-(oxan-4-yl)methanone?
[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(oxan-4-yl)methanone has a molecular weight of 330.39 g/mol, XLogP of 0.85, 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]-(oxan-4-yl)methanone is sourced from PubChem (CID 118739715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).