3-[6-(1,2-dihydrotriazol-3-yl)-2-methyl-3-pyridinyl]-5-(1-hydroxypropan-2-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one

C17H20N8O2 — CID 67380589

IUPAC3-[6-(1,2-dihydrotriazol-3-yl)-2-methyl-3-pyridinyl]-5-(1-hydroxypropan-2-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCc1nc(N2C=CNN2)ccc1-c1cnc2c(n1)N(C(C)CO)C(=O)CN2
InChIInChI=1S/C17H20N8O2/c1-10(9-26)25-15(27)8-19-16-17(25)22-13(7-18-16)12-3-4-14(21-11(12)2)24-6-5-20-23-24/h3-7,10,20,23,26H,8-9H2,1-2H3,(H,18,19)
InChIKeyDKLAOROKHLULIX-UHFFFAOYSA-N
MW368.40 g/mol
LogP0.29
Rot. Bonds4

About 3-[6-(1,2-dihydrotriazol-3-yl)-2-methyl-3-pyridinyl]-5-(1-hydroxypropan-2-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one

3-[6-(1,2-dihydrotriazol-3-yl)-2-methyl-3-pyridinyl]-5-(1-hydroxypropan-2-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 67380589) has the molecular formula C17H20N8O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 3-[6-(1,2-dihydrotriazol-3-yl)-2-methyl-3-pyridinyl]-5-(1-hydroxypropan-2-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name3-[6-(1,2-dihydrotriazol-3-yl)-2-methyl-3-pyridinyl]-5-(1-hydroxypropan-2-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID67380589
Molecular FormulaC17H20N8O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name3-[6-(1,2-dihydrotriazol-3-yl)-2-methyl-3-pyridinyl]-5-(1-hydroxypropan-2-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCc1nc(N2C=CNN2)ccc1-c1cnc2c(n1)N(C(C)CO)C(=O)CN2
InChIInChI=1S/C17H20N8O2/c1-10(9-26)25-15(27)8-19-16-17(25)22-13(7-18-16)12-3-4-14(21-11(12)2)24-6-5-20-23-24/h3-7,10,20,23,26H,8-9H2,1-2H3,(H,18,19)
InChIKeyDKLAOROKHLULIX-UHFFFAOYSA-N
XLogP0.29
TPSA118.54 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 3-[6-(1,2-dihydrotriazol-3-yl)-2-methyl-3-pyridinyl]-5-(1-hydroxypropan-2-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one with MolForge

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Launch Full Analysis

Related Compounds

Cc-115
CID 58298318
1-Isopropyl-7-(2-methyl-6-(4H-1,2,4-triazol-3-yl)pyridin-3-yl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one
CID 58298326
1-(2-Methoxyethyl)-7-(2-methyl-6-(4H-1,2,4-triazol-3-yl)pyridin-3-yl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one
CID 58298327
8-(2-methoxyethyl)-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46215208
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
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
N-[2-hydroxy-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propyl]acetamide
CID 90654806
Acetamide, N-(8-(4-(2-hydroxyethyl)-1-piperazinyl)-1,7-naphthyridin-6-yl)-
CID 3065021
4-(2-methoxyethyl)-2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide
CID 50840686
N-[2-[4-(dimethylamino)-2-pyridin-3-yl-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl]-1-(hydroxymethyl)-2-oxoethyl]acetamide
CID 56870665
2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-yl]-1,2,4-triazol-3-one
CID 139513272
(3S)-7-[[3-amino-2-[[6-(trifluoromethyl)-3-pyridinyl]methyliminomethyl]prop-2-enyl]amino]-4-(2-hydroxyethyl)-3-methyl-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 174005594

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1,2-dihydrotriazol-3-yl)-2-methyl-3-pyridinyl]-5-(1-hydroxypropan-2-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 3-[6-(1,2-dihydrotriazol-3-yl)-2-methyl-3-pyridinyl]-5-(1-hydroxypropan-2-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 67380589) is 3-[6-(1,2-dihydrotriazol-3-yl)-2-methyl-3-pyridinyl]-5-(1-hydroxypropan-2-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 3-[6-(1,2-dihydrotriazol-3-yl)-2-methyl-3-pyridinyl]-5-(1-hydroxypropan-2-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 3-[6-(1,2-dihydrotriazol-3-yl)-2-methyl-3-pyridinyl]-5-(1-hydroxypropan-2-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is Cc1nc(N2C=CNN2)ccc1-c1cnc2c(n1)N(C(C)CO)C(=O)CN2.
What is the InChIKey of 3-[6-(1,2-dihydrotriazol-3-yl)-2-methyl-3-pyridinyl]-5-(1-hydroxypropan-2-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is DKLAOROKHLULIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O2/c1-10(9-26)25-15(27)8-19-16-17(25)22-13(7-18-16)12-3-4-14(21-11(12)2)24-6-5-20-23-24/h3-7,10,20,23,26H,8-9H2,1-2H3,(H,18,19).
What are the key properties of 3-[6-(1,2-dihydrotriazol-3-yl)-2-methyl-3-pyridinyl]-5-(1-hydroxypropan-2-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
3-[6-(1,2-dihydrotriazol-3-yl)-2-methyl-3-pyridinyl]-5-(1-hydroxypropan-2-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 368.40 g/mol, XLogP of 0.29, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1,2-dihydrotriazol-3-yl)-2-methyl-3-pyridinyl]-5-(1-hydroxypropan-2-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 67380589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).