8-methyl-2-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

C17H23N7O2 — CID 50948165

IUPAC8-methyl-2-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCC(C)c1cc(C(=O)N2CCN3CCN(C)C(=O)C3C2)nc2ncnn12
InChIInChI=1S/C17H23N7O2/c1-11(2)13-8-12(20-17-18-10-19-24(13)17)15(25)23-7-6-22-5-4-21(3)16(26)14(22)9-23/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyKSGUXELURWMSCI-UHFFFAOYSA-N
MW357.42 g/mol
LogP-0.15
Rot. Bonds2

About 8-methyl-2-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

8-methyl-2-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (PubChem CID 50948165) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 8-methyl-2-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name8-methyl-2-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
PubChem CID50948165
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name8-methyl-2-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCC(C)c1cc(C(=O)N2CCN3CCN(C)C(=O)C3C2)nc2ncnn12
InChIInChI=1S/C17H23N7O2/c1-11(2)13-8-12(20-17-18-10-19-24(13)17)15(25)23-7-6-22-5-4-21(3)16(26)14(22)9-23/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyKSGUXELURWMSCI-UHFFFAOYSA-N
XLogP-0.15
TPSA86.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-methyl-2-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one with MolForge

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Related Compounds

1,3-dihydroisoindol-2-yl-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 72844137
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 97285251
[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 99949308
(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 72859386
8-methyl-2-(1,3-thiazole-4-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50979351
[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 118787753
[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 72891602
(9aR)-8-methyl-2-(1,2,5-oxadiazole-3-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95119889
8-methyl-2-(1,2,5-oxadiazole-3-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50948995
[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 97123200
N-[2-(4-methylpiperidin-1-yl)propyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 46970474
[(3aR,6S,7aS)-6-hydroxy-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 118767320

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of 8-methyl-2-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (CID 50948165) is 8-methyl-2-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for 8-methyl-2-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for 8-methyl-2-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is CC(C)c1cc(C(=O)N2CCN3CCN(C)C(=O)C3C2)nc2ncnn12.
What is the InChIKey of 8-methyl-2-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The InChIKey is KSGUXELURWMSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-11(2)13-8-12(20-17-18-10-19-24(13)17)15(25)23-7-6-22-5-4-21(3)16(26)14(22)9-23/h8,10-11,14H,4-7,9H2,1-3H3.
What are the key properties of 8-methyl-2-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
8-methyl-2-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one has a molecular weight of 357.42 g/mol, XLogP of -0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 50948165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).