(3-methylcyclobutyl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C16H20N6O2 — CID 131689816

IUPAC(3-methylcyclobutyl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCC1CC(C(=O)N2CCn3c(COc4ncccn4)nnc3C2)C1
InChIInChI=1S/C16H20N6O2/c1-11-7-12(8-11)15(23)21-5-6-22-13(9-21)19-20-14(22)10-24-16-17-3-2-4-18-16/h2-4,11-12H,5-10H2,1H3
InChIKeyKPUAZWZZUKRPLK-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.04
Rot. Bonds4

About (3-methylcyclobutyl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(3-methylcyclobutyl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 131689816) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is (3-methylcyclobutyl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(3-methylcyclobutyl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID131689816
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name(3-methylcyclobutyl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCC1CC(C(=O)N2CCn3c(COc4ncccn4)nnc3C2)C1
InChIInChI=1S/C16H20N6O2/c1-11-7-12(8-11)15(23)21-5-6-22-13(9-21)19-20-14(22)10-24-16-17-3-2-4-18-16/h2-4,11-12H,5-10H2,1H3
InChIKeyKPUAZWZZUKRPLK-UHFFFAOYSA-N
XLogP1.04
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-methylcyclobutyl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Related Compounds

(1-methyl-1,2,4-triazol-3-yl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 131690044
(5,6-dimethylpyrimidin-4-yl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 131689422
2-methoxy-1-[3-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 97405256
[(2R)-oxolan-2-yl]-[3-(pyridin-2-yloxymethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]methanone
CID 97405403
cycloheptyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 71930214
(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanone
CID 95291073
(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 95287909
1-[3-[(2,6-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-methylpropan-1-one
CID 136554030
7-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155855357
cyclopentyl-[3-[(2R)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 95833920
(3,5-dimethylpiperidin-1-yl)-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 42952772
[3-(hydroxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 126469064

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclobutyl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (3-methylcyclobutyl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 131689816) is (3-methylcyclobutyl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (3-methylcyclobutyl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (3-methylcyclobutyl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is CC1CC(C(=O)N2CCn3c(COc4ncccn4)nnc3C2)C1.
What is the InChIKey of (3-methylcyclobutyl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is KPUAZWZZUKRPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-11-7-12(8-11)15(23)21-5-6-22-13(9-21)19-20-14(22)10-24-16-17-3-2-4-18-16/h2-4,11-12H,5-10H2,1H3.
What are the key properties of (3-methylcyclobutyl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(3-methylcyclobutyl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 328.38 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclobutyl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 131689816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).