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

C20H22N8O2 — CID 59453028

IUPAC5-(4-hydroxycyclohexyl)-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCc1nc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)N(C1CCC(O)CC1)C(=O)CN2
InChIInChI=1S/C20H22N8O2/c1-11-14(6-7-15(25-11)18-23-10-24-27-18)16-8-21-19-20(26-16)28(17(30)9-22-19)12-2-4-13(29)5-3-12/h6-8,10,12-13,29H,2-5,9H2,1H3,(H,21,22)(H,23,24,27)
InChIKeyBIYXBMJPSRSLCH-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.69
Rot. Bonds3

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

5-(4-hydroxycyclohexyl)-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 59453028) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 5-(4-hydroxycyclohexyl)-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name5-(4-hydroxycyclohexyl)-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID59453028
Molecular FormulaC20H22N8O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name5-(4-hydroxycyclohexyl)-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCc1nc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)N(C1CCC(O)CC1)C(=O)CN2
InChIInChI=1S/C20H22N8O2/c1-11-14(6-7-15(25-11)18-23-10-24-27-18)16-8-21-19-20(26-16)28(17(30)9-22-19)12-2-4-13(29)5-3-12/h6-8,10,12-13,29H,2-5,9H2,1H3,(H,21,22)(H,23,24,27)
InChIKeyBIYXBMJPSRSLCH-UHFFFAOYSA-N
XLogP1.69
TPSA132.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxycyclohexyl)-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 5-(4-hydroxycyclohexyl)-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 59453028) is 5-(4-hydroxycyclohexyl)-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 5-(4-hydroxycyclohexyl)-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 5-(4-hydroxycyclohexyl)-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is Cc1nc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)N(C1CCC(O)CC1)C(=O)CN2.
What is the InChIKey of 5-(4-hydroxycyclohexyl)-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is BIYXBMJPSRSLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O2/c1-11-14(6-7-15(25-11)18-23-10-24-27-18)16-8-21-19-20(26-16)28(17(30)9-22-19)12-2-4-13(29)5-3-12/h6-8,10,12-13,29H,2-5,9H2,1H3,(H,21,22)(H,23,24,27).
What are the key properties of 5-(4-hydroxycyclohexyl)-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
5-(4-hydroxycyclohexyl)-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 406.45 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxycyclohexyl)-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 59453028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).