3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C20H22N8O2 — CID 126894959

IUPAC3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCOc1ncnc2ccc(N3CCN(Cc4nnc5c(=O)n(C)ccn45)CC3)cc12
InChIInChI=1S/C20H22N8O2/c1-25-5-10-28-17(23-24-18(28)20(25)29)12-26-6-8-27(9-7-26)14-3-4-16-15(11-14)19(30-2)22-13-21-16/h3-5,10-11,13H,6-9,12H2,1-2H3
InChIKeyYMXBDUNRQBUGSV-UHFFFAOYSA-N
MW406.45 g/mol
LogP0.70
Rot. Bonds4

About 3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one

3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 126894959) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID126894959
Molecular FormulaC20H22N8O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCOc1ncnc2ccc(N3CCN(Cc4nnc5c(=O)n(C)ccn45)CC3)cc12
InChIInChI=1S/C20H22N8O2/c1-25-5-10-28-17(23-24-18(28)20(25)29)12-26-6-8-27(9-7-26)14-3-4-16-15(11-14)19(30-2)22-13-21-16/h3-5,10-11,13H,6-9,12H2,1-2H3
InChIKeyYMXBDUNRQBUGSV-UHFFFAOYSA-N
XLogP0.70
TPSA93.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one with MolForge

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Related Compounds

7-[4-[(7-methyl-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897634
3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 126894808
4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126894740
3-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpyrazin-2-one
CID 126896494
2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole
CID 126894790
4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 126894690
5-cyclopropyl-4-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 126894838
4-(cyclopropylmethoxy)-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinazoline
CID 126896308
4-methoxy-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126894689
6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894751
6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894882
4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline
CID 126894851

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 126894959) is 3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is COc1ncnc2ccc(N3CCN(Cc4nnc5c(=O)n(C)ccn45)CC3)cc12.
What is the InChIKey of 3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is YMXBDUNRQBUGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O2/c1-25-5-10-28-17(23-24-18(28)20(25)29)12-26-6-8-27(9-7-26)14-3-4-16-15(11-14)19(30-2)22-13-21-16/h3-5,10-11,13H,6-9,12H2,1-2H3.
What are the key properties of 3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 406.45 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 126894959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).