3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one

C17H18N8O — CID 58298326

IUPAC3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCc1nc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)N(C(C)C)C(=O)CN2
InChIInChI=1S/C17H18N8O/c1-9(2)25-14(26)7-19-16-17(25)23-13(6-18-16)11-4-5-12(22-10(11)3)15-20-8-21-24-15/h4-6,8-9H,7H2,1-3H3,(H,18,19)(H,20,21,24)
InChIKeyPYBNTHVXUJFNOG-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.80
Rot. Bonds3

About 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one

3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 58298326) has the molecular formula C17H18N8O and a molecular weight of 350.39 g/mol. Its IUPAC name is 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID58298326
Molecular FormulaC17H18N8O
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCc1nc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)N(C(C)C)C(=O)CN2
InChIInChI=1S/C17H18N8O/c1-9(2)25-14(26)7-19-16-17(25)23-13(6-18-16)11-4-5-12(22-10(11)3)15-20-8-21-24-15/h4-6,8-9H,7H2,1-3H3,(H,18,19)(H,20,21,24)
InChIKeyPYBNTHVXUJFNOG-UHFFFAOYSA-N
XLogP1.80
TPSA112.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 58298326) is 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is Cc1nc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)N(C(C)C)C(=O)CN2.
What is the InChIKey of 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is PYBNTHVXUJFNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O/c1-9(2)25-14(26)7-19-16-17(25)23-13(6-18-16)11-4-5-12(22-10(11)3)15-20-8-21-24-15/h4-6,8-9H,7H2,1-3H3,(H,18,19)(H,20,21,24).
What are the key properties of 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 350.39 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 58298326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).