5-(methoxymethyl)-7-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C18H22N8O — CID 126934173

IUPAC5-(methoxymethyl)-7-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1cc(N2CC3CN(c4ncncc4C)CC3C2)n2ncnc2n1
InChIInChI=1S/C18H22N8O/c1-12-4-19-10-20-17(12)25-7-13-5-24(6-14(13)8-25)16-3-15(9-27-2)23-18-21-11-22-26(16)18/h3-4,10-11,13-14H,5-9H2,1-2H3
InChIKeyIKAYMHJWOACBIB-UHFFFAOYSA-N
MW366.43 g/mol
LogP0.94
Rot. Bonds4

About 5-(methoxymethyl)-7-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

5-(methoxymethyl)-7-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 126934173) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is 5-(methoxymethyl)-7-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(methoxymethyl)-7-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID126934173
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name5-(methoxymethyl)-7-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1cc(N2CC3CN(c4ncncc4C)CC3C2)n2ncnc2n1
InChIInChI=1S/C18H22N8O/c1-12-4-19-10-20-17(12)25-7-13-5-24(6-14(13)8-25)16-3-15(9-27-2)23-18-21-11-22-26(16)18/h3-4,10-11,13-14H,5-9H2,1-2H3
InChIKeyIKAYMHJWOACBIB-UHFFFAOYSA-N
XLogP0.94
TPSA84.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-(methoxymethyl)-7-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

5,6-dimethyl-7-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126933939
5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126900419
7-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126947093
7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133274031
7-(3-ethylsulfanylazepan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133311255
5-[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]pyridin-2-amine
CID 133304099
2-(4-fluorophenyl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-methylmorpholine
CID 133330365
7-methoxy-2-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline
CID 133273595
5-(5-methylpyrimidin-4-yl)-2-(pyrimidin-5-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126934054
2-(furan-2-yl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 133347018
N-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 133481382
5-(5-methylpyrimidin-4-yl)-2-(2-pyrrolidin-1-ylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933952

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-7-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(methoxymethyl)-7-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 126934173) is 5-(methoxymethyl)-7-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(methoxymethyl)-7-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(methoxymethyl)-7-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is COCc1cc(N2CC3CN(c4ncncc4C)CC3C2)n2ncnc2n1.
What is the InChIKey of 5-(methoxymethyl)-7-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is IKAYMHJWOACBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-12-4-19-10-20-17(12)25-7-13-5-24(6-14(13)8-25)16-3-15(9-27-2)23-18-21-11-22-26(16)18/h3-4,10-11,13-14H,5-9H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-7-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5-(methoxymethyl)-7-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 366.43 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-7-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 126934173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).