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

C21H24N8O2 — CID 52933960

IUPAC8-(4-methoxycyclohexyl)-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCOC1CCC(N2CC(=O)Nc3ncc(-c4ccc(-c5ncn[nH]5)nc4C)nc32)CC1
InChIInChI=1S/C21H24N8O2/c1-12-15(7-8-16(25-12)19-23-11-24-28-19)17-9-22-20-21(26-17)29(10-18(30)27-20)13-3-5-14(31-2)6-4-13/h7-9,11,13-14H,3-6,10H2,1-2H3,(H,22,27,30)(H,23,24,28)
InChIKeyAHTXWEHJMLNLGH-UHFFFAOYSA-N
MW420.48 g/mol
LogP2.35
Rot. Bonds4

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

8-(4-methoxycyclohexyl)-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 52933960) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 8-(4-methoxycyclohexyl)-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name8-(4-methoxycyclohexyl)-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID52933960
Molecular FormulaC21H24N8O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name8-(4-methoxycyclohexyl)-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCOC1CCC(N2CC(=O)Nc3ncc(-c4ccc(-c5ncn[nH]5)nc4C)nc32)CC1
InChIInChI=1S/C21H24N8O2/c1-12-15(7-8-16(25-12)19-23-11-24-28-19)17-9-22-20-21(26-17)29(10-18(30)27-20)13-3-5-14(31-2)6-4-13/h7-9,11,13-14H,3-6,10H2,1-2H3,(H,22,27,30)(H,23,24,28)
InChIKeyAHTXWEHJMLNLGH-UHFFFAOYSA-N
XLogP2.35
TPSA121.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxycyclohexyl)-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 8-(4-methoxycyclohexyl)-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (CID 52933960) is 8-(4-methoxycyclohexyl)-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 8-(4-methoxycyclohexyl)-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 8-(4-methoxycyclohexyl)-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is COC1CCC(N2CC(=O)Nc3ncc(-c4ccc(-c5ncn[nH]5)nc4C)nc32)CC1.
What is the InChIKey of 8-(4-methoxycyclohexyl)-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is AHTXWEHJMLNLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O2/c1-12-15(7-8-16(25-12)19-23-11-24-28-19)17-9-22-20-21(26-17)29(10-18(30)27-20)13-3-5-14(31-2)6-4-13/h7-9,11,13-14H,3-6,10H2,1-2H3,(H,22,27,30)(H,23,24,28).
What are the key properties of 8-(4-methoxycyclohexyl)-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
8-(4-methoxycyclohexyl)-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 420.48 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxycyclohexyl)-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 52933960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).