7-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one

C21H24N8O2 — CID 126898632

IUPAC7-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
SMILESCc1nc2ncnn2c(N2CCN(c3ccc4c(=O)n(CCO)cnc4c3)CC2)c1C
InChIInChI=1S/C21H24N8O2/c1-14-15(2)25-21-22-12-24-29(21)19(14)27-7-5-26(6-8-27)16-3-4-17-18(11-16)23-13-28(9-10-30)20(17)31/h3-4,11-13,30H,5-10H2,1-2H3
InChIKeyFFELZOOONYOBJB-UHFFFAOYSA-N
MW420.48 g/mol
LogP0.77
Rot. Bonds4

About 7-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one

7-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one (PubChem CID 126898632) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 7-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name7-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
PubChem CID126898632
Molecular FormulaC21H24N8O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name7-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
SMILESCc1nc2ncnn2c(N2CCN(c3ccc4c(=O)n(CCO)cnc4c3)CC2)c1C
InChIInChI=1S/C21H24N8O2/c1-14-15(2)25-21-22-12-24-29(21)19(14)27-7-5-26(6-8-27)16-3-4-17-18(11-16)23-13-28(9-10-30)20(17)31/h3-4,11-13,30H,5-10H2,1-2H3
InChIKeyFFELZOOONYOBJB-UHFFFAOYSA-N
XLogP0.77
TPSA104.68 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 7-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one with MolForge

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Related Compounds

3-(2-hydroxyethyl)-7-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]quinazolin-4-one
CID 126898638
3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one
CID 126898605
3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one
CID 126898623
3-(2-hydroxyethyl)-7-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126898635
3-(2-hydroxyethyl)-7-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126898928
3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one
CID 126898641
3-(2-hydroxyethyl)-7-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126898859
3-(2-hydroxyethyl)-7-[4-[(1-methyl-6-oxopyridazin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898729
3-(2-hydroxyethyl)-7-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126898874
7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126898652
7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126898540
3-(2-hydroxyethyl)-7-[4-(1,2,4-oxadiazol-5-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126898761

Frequently Asked Questions

What is the IUPAC name of 7-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one?
The IUPAC name of 7-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one (CID 126898632) is 7-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one.
What is the SMILES notation for 7-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one?
The canonical SMILES for 7-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one is Cc1nc2ncnn2c(N2CCN(c3ccc4c(=O)n(CCO)cnc4c3)CC2)c1C.
What is the InChIKey of 7-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one?
The InChIKey is FFELZOOONYOBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O2/c1-14-15(2)25-21-22-12-24-29(21)19(14)27-7-5-26(6-8-27)16-3-4-17-18(11-16)23-13-28(9-10-30)20(17)31/h3-4,11-13,30H,5-10H2,1-2H3.
What are the key properties of 7-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one?
7-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one has a molecular weight of 420.48 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one is sourced from PubChem (CID 126898632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).