7-aminopyrazolo[1,5-a][1,3,5]triazine-8-carboxamide;2-ethyl-5-methyl-3-phenylquinazolin-4-one

C23H22N8O2 — CID 145415730

IUPAC7-aminopyrazolo[1,5-a][1,3,5]triazine-8-carboxamide;2-ethyl-5-methyl-3-phenylquinazolin-4-one
SMILESCCc1nc2cccc(C)c2c(=O)n1-c1ccccc1.NC(=O)c1c(N)nn2cncnc12
InChIInChI=1S/C17H16N2O.C6H6N6O/c1-3-15-18-14-11-7-8-12(2)16(14)17(20)19(15)13-9-5-4-6-10-13;7-4-3(5(8)13)6-10-1-9-2-12(6)11-4/h4-11H,3H2,1-2H3;1-2H,(H2,7,11)(H2,8,13)
InChIKeyHTWXFUDETFKHGI-UHFFFAOYSA-N
MW442.48 g/mol
LogP2.06
Rot. Bonds3

About 7-aminopyrazolo[1,5-a][1,3,5]triazine-8-carboxamide;2-ethyl-5-methyl-3-phenylquinazolin-4-one

7-aminopyrazolo[1,5-a][1,3,5]triazine-8-carboxamide;2-ethyl-5-methyl-3-phenylquinazolin-4-one (PubChem CID 145415730) has the molecular formula C23H22N8O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is 7-aminopyrazolo[1,5-a][1,3,5]triazine-8-carboxamide;2-ethyl-5-methyl-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name7-aminopyrazolo[1,5-a][1,3,5]triazine-8-carboxamide;2-ethyl-5-methyl-3-phenylquinazolin-4-one
PubChem CID145415730
Molecular FormulaC23H22N8O2
Molecular Weight442.48 g/mol
Exact Mass442.19
IUPAC Name7-aminopyrazolo[1,5-a][1,3,5]triazine-8-carboxamide;2-ethyl-5-methyl-3-phenylquinazolin-4-one
SMILESCCc1nc2cccc(C)c2c(=O)n1-c1ccccc1.NC(=O)c1c(N)nn2cncnc12
InChIInChI=1S/C17H16N2O.C6H6N6O/c1-3-15-18-14-11-7-8-12(2)16(14)17(20)19(15)13-9-5-4-6-10-13;7-4-3(5(8)13)6-10-1-9-2-12(6)11-4/h4-11H,3H2,1-2H3;1-2H,(H2,7,11)(H2,8,13)
InChIKeyHTWXFUDETFKHGI-UHFFFAOYSA-N
XLogP2.06
TPSA147.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-aminopyrazolo[1,5-d][1,2,4]triazine-3-carboxamide;2-ethyl-5-methyl-3-phenylquinazolin-4-one
CID 145415673
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one
CID 144824115
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-(6-oxo-1H-pyridin-3-yl)ethynyl]-3-phenylquinazolin-4-one
CID 144926736
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one
CID 144926925
3-aminopyrazine-2-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one
CID 144824068
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-(3,4-difluorophenyl)-2-ethyl-5-ethynylquinazolin-4-one
CID 144825003
2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylquinazolin-4-one
CID 145415578
2-aminoimidazo[1,2-b]pyridazine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinazolin-4-one
CID 144926817
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-(5-methyl-1,3-thiazol-4-yl)ethynyl]-2-phenylisoquinolin-1-one
CID 144824584
2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile
CID 123768528
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-3-ethyl-2-phenylisoquinolin-1-one
CID 144824587
7-amino-N-[(1S)-1-(5-ethyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[5,1-c][1,2,4]triazine-8-carboxamide
CID 138624341

Frequently Asked Questions

What is the IUPAC name of 7-aminopyrazolo[1,5-a][1,3,5]triazine-8-carboxamide;2-ethyl-5-methyl-3-phenylquinazolin-4-one?
The IUPAC name of 7-aminopyrazolo[1,5-a][1,3,5]triazine-8-carboxamide;2-ethyl-5-methyl-3-phenylquinazolin-4-one (CID 145415730) is 7-aminopyrazolo[1,5-a][1,3,5]triazine-8-carboxamide;2-ethyl-5-methyl-3-phenylquinazolin-4-one.
What is the SMILES notation for 7-aminopyrazolo[1,5-a][1,3,5]triazine-8-carboxamide;2-ethyl-5-methyl-3-phenylquinazolin-4-one?
The canonical SMILES for 7-aminopyrazolo[1,5-a][1,3,5]triazine-8-carboxamide;2-ethyl-5-methyl-3-phenylquinazolin-4-one is CCc1nc2cccc(C)c2c(=O)n1-c1ccccc1.NC(=O)c1c(N)nn2cncnc12.
What is the InChIKey of 7-aminopyrazolo[1,5-a][1,3,5]triazine-8-carboxamide;2-ethyl-5-methyl-3-phenylquinazolin-4-one?
The InChIKey is HTWXFUDETFKHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O.C6H6N6O/c1-3-15-18-14-11-7-8-12(2)16(14)17(20)19(15)13-9-5-4-6-10-13;7-4-3(5(8)13)6-10-1-9-2-12(6)11-4/h4-11H,3H2,1-2H3;1-2H,(H2,7,11)(H2,8,13).
What are the key properties of 7-aminopyrazolo[1,5-a][1,3,5]triazine-8-carboxamide;2-ethyl-5-methyl-3-phenylquinazolin-4-one?
7-aminopyrazolo[1,5-a][1,3,5]triazine-8-carboxamide;2-ethyl-5-methyl-3-phenylquinazolin-4-one has a molecular weight of 442.48 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aminopyrazolo[1,5-a][1,3,5]triazine-8-carboxamide;2-ethyl-5-methyl-3-phenylquinazolin-4-one is sourced from PubChem (CID 145415730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).