5-amino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one

C17H15N5O2 — CID 59299636

IUPAC5-amino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one
SMILESCOc1cccc(Cn2nc3c4ccccc4nc(N)n3c2=O)c1
InChIInChI=1S/C17H15N5O2/c1-24-12-6-4-5-11(9-12)10-21-17(23)22-15(20-21)13-7-2-3-8-14(13)19-16(22)18/h2-9H,10H2,1H3,(H2,18,19)
InChIKeyAHMFQTTXCIRDEG-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.68
Rot. Bonds3

About 5-amino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one

5-amino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one (PubChem CID 59299636) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 5-amino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one.

Molecular Properties

Compound Name5-amino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one
PubChem CID59299636
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name5-amino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one
SMILESCOc1cccc(Cn2nc3c4ccccc4nc(N)n3c2=O)c1
InChIInChI=1S/C17H15N5O2/c1-24-12-6-4-5-11(9-12)10-21-17(23)22-15(20-21)13-7-2-3-8-14(13)19-16(22)18/h2-9H,10H2,1H3,(H2,18,19)
InChIKeyAHMFQTTXCIRDEG-UHFFFAOYSA-N
XLogP1.68
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-amino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one with MolForge

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Related Compounds

5-amino-2-benzyl-9-fluoro-[1,2,4]triazolo[4,3-c]quinazolin-3-one
CID 59299664
4-amino-2-benzyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 52939090
1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine
CID 121320242
3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 68724550
4-chloro-1-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-6-amine
CID 22015510
7-anilino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
CID 95920779
2-[(3-fluorophenyl)methylsulfanyl]-3-[(3-methoxyphenyl)methyl]quinazolin-4-one
CID 51365392
2-[(3-methoxyphenyl)methyl]-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 95920674
4-amino-2-benzyl-7-(methylperoxymethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 88891224
3-[2-amino-1-[(3-methoxyphenyl)methyl]benzimidazol-5-yl]propanoic acid
CID 11221058
3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione
CID 91254141
3-(3-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 8921562

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The IUPAC name of 5-amino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one (CID 59299636) is 5-amino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one.
What is the SMILES notation for 5-amino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The canonical SMILES for 5-amino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one is COc1cccc(Cn2nc3c4ccccc4nc(N)n3c2=O)c1.
What is the InChIKey of 5-amino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The InChIKey is AHMFQTTXCIRDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-24-12-6-4-5-11(9-12)10-21-17(23)22-15(20-21)13-7-2-3-8-14(13)19-16(22)18/h2-9H,10H2,1H3,(H2,18,19).
What are the key properties of 5-amino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
5-amino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one has a molecular weight of 321.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one is sourced from PubChem (CID 59299636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).