3-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]quinazolin-4-one

C20H20N6O — CID 50976957

IUPAC3-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]quinazolin-4-one
SMILESCC(C)Cc1nc(Cn2cnc3ccccc3c2=O)n(-c2ccccn2)n1
InChIInChI=1S/C20H20N6O/c1-14(2)11-17-23-19(26(24-17)18-9-5-6-10-21-18)12-25-13-22-16-8-4-3-7-15(16)20(25)27/h3-10,13-14H,11-12H2,1-2H3
InChIKeySXODGZRQCKXIOX-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.62
Rot. Bonds5

About 3-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]quinazolin-4-one

3-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]quinazolin-4-one (PubChem CID 50976957) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]quinazolin-4-one
PubChem CID50976957
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name3-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]quinazolin-4-one
SMILESCC(C)Cc1nc(Cn2cnc3ccccc3c2=O)n(-c2ccccn2)n1
InChIInChI=1S/C20H20N6O/c1-14(2)11-17-23-19(26(24-17)18-9-5-6-10-21-18)12-25-13-22-16-8-4-3-7-15(16)20(25)27/h3-10,13-14H,11-12H2,1-2H3
InChIKeySXODGZRQCKXIOX-UHFFFAOYSA-N
XLogP2.62
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]quinazolin-4-one with MolForge

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Related Compounds

3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one
CID 79231283
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
2-(2-methylpropyl)-1-pyridin-2-ylbenzimidazole
CID 21050242
3-propylquinazolin-4-one
CID 529124
3-[(5-methyl-1H-imidazol-4-yl)methyl]quinazolin-4-one
CID 10421762
3-[(2R)-1-pyridin-2-ylpropan-2-yl]quinazolin-4-one
CID 39826477
3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one
CID 2362738
3-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]quinazolin-4-one
CID 47037876
3-[2-(bromomethyl)butyl]quinazolin-4-one
CID 64995247
3-[(6-amino-3-chloro-2-pyridinyl)methyl]quinazolin-4-one
CID 62886832
3-(2,2-dihydroxypropyl)quinazolin-4-one
CID 142014716

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]quinazolin-4-one (CID 50976957) is 3-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]quinazolin-4-one is CC(C)Cc1nc(Cn2cnc3ccccc3c2=O)n(-c2ccccn2)n1.
What is the InChIKey of 3-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]quinazolin-4-one?
The InChIKey is SXODGZRQCKXIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-14(2)11-17-23-19(26(24-17)18-9-5-6-10-21-18)12-25-13-22-16-8-4-3-7-15(16)20(25)27/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 3-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]quinazolin-4-one?
3-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]quinazolin-4-one has a molecular weight of 360.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 50976957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).