8-methoxy-6-phenyl-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1,5-dione

C17H14N4O3 — CID 57261541

IUPAC8-methoxy-6-phenyl-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1,5-dione
SMILESCOc1ccc2c(c1)N(c1ccccc1)C(=O)Cc1n[nH]c(=O)n1-2
InChIInChI=1S/C17H14N4O3/c1-24-12-7-8-13-14(9-12)20(11-5-3-2-4-6-11)16(22)10-15-18-19-17(23)21(13)15/h2-9H,10H2,1H3,(H,19,23)
InChIKeyZTHSEYHJGDGRCN-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.79
Rot. Bonds2

About 8-methoxy-6-phenyl-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1,5-dione

8-methoxy-6-phenyl-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1,5-dione (PubChem CID 57261541) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 8-methoxy-6-phenyl-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1,5-dione.

Molecular Properties

Compound Name8-methoxy-6-phenyl-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1,5-dione
PubChem CID57261541
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name8-methoxy-6-phenyl-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1,5-dione
SMILESCOc1ccc2c(c1)N(c1ccccc1)C(=O)Cc1n[nH]c(=O)n1-2
InChIInChI=1S/C17H14N4O3/c1-24-12-7-8-13-14(9-12)20(11-5-3-2-4-6-11)16(22)10-15-18-19-17(23)21(13)15/h2-9H,10H2,1H3,(H,19,23)
InChIKeyZTHSEYHJGDGRCN-UHFFFAOYSA-N
XLogP1.79
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-methoxy-6-phenyl-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1,5-dione with MolForge

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Related Compounds

8-chloro-6-(2-methoxyphenyl)-2,4-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine-1,5-dione
CID 57196289
4-(3-methoxyphenyl)-3-methyl-1H-1,2,4-triazol-5-one
CID 3843100
4-(4-methoxy-2-methylphenyl)-3-methyl-1H-1,2,4-triazol-5-one
CID 50968338
7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione
CID 736902
3-butyl-4-(3-methoxyphenyl)-1H-1,2,4-triazol-5-one
CID 50956867
3-(1-aminopropyl)-4-(3-methoxyphenyl)-1H-1,2,4-triazol-5-one
CID 102654953
7-methoxy-5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 21201552
4-methoxy-1-phenyl-3H-indol-2-one
CID 12777165
6-ethoxy-1-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one
CID 66922272
3-amino-6-methoxy-1-phenyl-3H-indol-2-one
CID 15284631
4-(2,4-dimethoxyphenyl)-3-(1-methoxyethyl)-1H-1,2,4-triazol-5-one
CID 50983435
5-bromo-1-phenyl-3H-indol-2-one
CID 139061933

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-phenyl-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1,5-dione?
The IUPAC name of 8-methoxy-6-phenyl-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1,5-dione (CID 57261541) is 8-methoxy-6-phenyl-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1,5-dione.
What is the SMILES notation for 8-methoxy-6-phenyl-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1,5-dione?
The canonical SMILES for 8-methoxy-6-phenyl-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1,5-dione is COc1ccc2c(c1)N(c1ccccc1)C(=O)Cc1n[nH]c(=O)n1-2.
What is the InChIKey of 8-methoxy-6-phenyl-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1,5-dione?
The InChIKey is ZTHSEYHJGDGRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-24-12-7-8-13-14(9-12)20(11-5-3-2-4-6-11)16(22)10-15-18-19-17(23)21(13)15/h2-9H,10H2,1H3,(H,19,23).
What are the key properties of 8-methoxy-6-phenyl-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1,5-dione?
8-methoxy-6-phenyl-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1,5-dione has a molecular weight of 322.32 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-phenyl-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1,5-dione is sourced from PubChem (CID 57261541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).