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

C20H23N9O2 — CID 59453105

IUPAC3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(2-morpholin-4-ylethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCc1nc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)N(CCN1CCOCC1)C(=O)CN2
InChIInChI=1S/C20H23N9O2/c1-13-14(2-3-15(25-13)18-23-12-24-27-18)16-10-21-19-20(26-16)29(17(30)11-22-19)5-4-28-6-8-31-9-7-28/h2-3,10,12H,4-9,11H2,1H3,(H,21,22)(H,23,24,27)
InChIKeySXJWIRIRCLXOIF-UHFFFAOYSA-N
MW421.47 g/mol
LogP0.72
Rot. Bonds5

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

3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(2-morpholin-4-ylethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 59453105) has the molecular formula C20H23N9O2 and a molecular weight of 421.47 g/mol. Its IUPAC name is 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(2-morpholin-4-ylethyl)-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-(2-morpholin-4-ylethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID59453105
Molecular FormulaC20H23N9O2
Molecular Weight421.47 g/mol
Exact Mass421.20
IUPAC Name3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(2-morpholin-4-ylethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCc1nc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)N(CCN1CCOCC1)C(=O)CN2
InChIInChI=1S/C20H23N9O2/c1-13-14(2-3-15(25-13)18-23-12-24-27-18)16-10-21-19-20(26-16)29(17(30)11-22-19)5-4-28-6-8-31-9-7-28/h2-3,10,12H,4-9,11H2,1H3,(H,21,22)(H,23,24,27)
InChIKeySXJWIRIRCLXOIF-UHFFFAOYSA-N
XLogP0.72
TPSA125.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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-(2-morpholin-4-ylethyl)-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-(2-morpholin-4-ylethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 59453105) is 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(2-morpholin-4-ylethyl)-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-(2-morpholin-4-ylethyl)-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-(2-morpholin-4-ylethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is Cc1nc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)N(CCN1CCOCC1)C(=O)CN2.
What is the InChIKey of 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(2-morpholin-4-ylethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is SXJWIRIRCLXOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N9O2/c1-13-14(2-3-15(25-13)18-23-12-24-27-18)16-10-21-19-20(26-16)29(17(30)11-22-19)5-4-28-6-8-31-9-7-28/h2-3,10,12H,4-9,11H2,1H3,(H,21,22)(H,23,24,27).
What are the key properties of 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(2-morpholin-4-ylethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-(2-morpholin-4-ylethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 421.47 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 9 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-(2-morpholin-4-ylethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 59453105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).