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

C22H26N8O2 — CID 126897634

IUPAC7-[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
SMILESCC(C)n1cnc2cc(N3CCN(Cc4nnc5c(=O)n(C)ccn45)CC3)ccc2c1=O
InChIInChI=1S/C22H26N8O2/c1-15(2)30-14-23-18-12-16(4-5-17(18)21(30)31)28-9-7-27(8-10-28)13-19-24-25-20-22(32)26(3)6-11-29(19)20/h4-6,11-12,14-15H,7-10,13H2,1-3H3
InChIKeyMWIOYXSABREXFV-UHFFFAOYSA-N
MW434.50 g/mol
LogP1.04
Rot. Bonds4

About 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

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 (PubChem CID 126897634) has the molecular formula C22H26N8O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID126897634
Molecular FormulaC22H26N8O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC Name7-[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
SMILESCC(C)n1cnc2cc(N3CCN(Cc4nnc5c(=O)n(C)ccn45)CC3)ccc2c1=O
InChIInChI=1S/C22H26N8O2/c1-15(2)30-14-23-18-12-16(4-5-17(18)21(30)31)28-9-7-27(8-10-28)13-19-24-25-20-22(32)26(3)6-11-29(19)20/h4-6,11-12,14-15H,7-10,13H2,1-3H3
InChIKeyMWIOYXSABREXFV-UHFFFAOYSA-N
XLogP1.04
TPSA93.56 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

3-propan-2-yl-7-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126897632
3-propan-2-yl-7-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126897472
7-[4-[(1-methyl-2-oxopyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897418
7-[4-[(4-methyl-5-oxopyrazin-2-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897425
7-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897342
7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897440
7-[4-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897419
3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 126894959
7-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897363
3-propan-2-yl-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126897487
7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897524
7-[4-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897479

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)n1cnc2cc(N3CCN(Cc4nnc5c(=O)n(C)ccn45)CC3)ccc2c1=O.
What is the InChIKey of 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?
The InChIKey is MWIOYXSABREXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O2/c1-15(2)30-14-23-18-12-16(4-5-17(18)21(30)31)28-9-7-27(8-10-28)13-19-24-25-20-22(32)26(3)6-11-29(19)20/h4-6,11-12,14-15H,7-10,13H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 434.50 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126897634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).