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

C17H18N8O2 — CID 131689422

IUPAC(5,6-dimethylpyrimidin-4-yl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1ncnc(C(=O)N2CCn3c(COc4ncccn4)nnc3C2)c1C
InChIInChI=1S/C17H18N8O2/c1-11-12(2)20-10-21-15(11)16(26)24-6-7-25-13(8-24)22-23-14(25)9-27-17-18-4-3-5-19-17/h3-5,10H,6-9H2,1-2H3
InChIKeyIJCVONQYNHSRRN-UHFFFAOYSA-N
MW366.39 g/mol
LogP0.71
Rot. Bonds4

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

(5,6-dimethylpyrimidin-4-yl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 131689422) has the molecular formula C17H18N8O2 and a molecular weight of 366.39 g/mol. Its IUPAC name is (5,6-dimethylpyrimidin-4-yl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(5,6-dimethylpyrimidin-4-yl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID131689422
Molecular FormulaC17H18N8O2
Molecular Weight366.39 g/mol
Exact Mass366.16
IUPAC Name(5,6-dimethylpyrimidin-4-yl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1ncnc(C(=O)N2CCn3c(COc4ncccn4)nnc3C2)c1C
InChIInChI=1S/C17H18N8O2/c1-11-12(2)20-10-21-15(11)16(26)24-6-7-25-13(8-24)22-23-14(25)9-27-17-18-4-3-5-19-17/h3-5,10H,6-9H2,1-2H3
InChIKeyIJCVONQYNHSRRN-UHFFFAOYSA-N
XLogP0.71
TPSA111.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (5,6-dimethylpyrimidin-4-yl)-[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
(3-methylcyclobutyl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 131689816
2-methoxy-1-[3-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 97405256
(4-benzhydrylpiperazin-1-yl)-(5,6-dimethylpyrimidin-4-yl)methanone
CID 146074737
[(3aS,8aR)-6-pyrimidin-2-yl-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-2-yl]-(5,6-dimethylpyrimidin-4-yl)methanone
CID 155878288
(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-pyridin-2-ylmethanone
CID 134793170
isoquinolin-1-yl-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 53193628
(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-methyl-3-methylsulfonylphenyl)methanone
CID 56802306
[(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
(5,6-dimethylpyrimidin-4-yl)-[4-(4-methylpiperazin-1-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]methanone
CID 131681895
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
3H-benzimidazol-5-yl-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 56780111

Frequently Asked Questions

What is the IUPAC name of (5,6-dimethylpyrimidin-4-yl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (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) is (5,6-dimethylpyrimidin-4-yl)-[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 (5,6-dimethylpyrimidin-4-yl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (5,6-dimethylpyrimidin-4-yl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is Cc1ncnc(C(=O)N2CCn3c(COc4ncccn4)nnc3C2)c1C.
What is the InChIKey of (5,6-dimethylpyrimidin-4-yl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is IJCVONQYNHSRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O2/c1-11-12(2)20-10-21-15(11)16(26)24-6-7-25-13(8-24)22-23-14(25)9-27-17-18-4-3-5-19-17/h3-5,10H,6-9H2,1-2H3.
What are the key properties of (5,6-dimethylpyrimidin-4-yl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(5,6-dimethylpyrimidin-4-yl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 366.39 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethylpyrimidin-4-yl)-[3-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 131689422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).