1-phenylchromeno[3,4-d]triazol-4-one

C15H9N3O2 — CID 2910333

IUPAC1-phenylchromeno[3,4-d]triazol-4-one
SMILESO=c1oc2ccccc2c2c1nnn2-c1ccccc1
InChIInChI=1S/C15H9N3O2/c19-15-13-14(11-8-4-5-9-12(11)20-15)18(17-16-13)10-6-2-1-3-7-10/h1-9H
InChIKeyFTYPJGALJIEXRU-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.53
Rot. Bonds1

About 1-phenylchromeno[3,4-d]triazol-4-one

1-phenylchromeno[3,4-d]triazol-4-one (PubChem CID 2910333) has the molecular formula C15H9N3O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-phenylchromeno[3,4-d]triazol-4-one.

Molecular Properties

Compound Name1-phenylchromeno[3,4-d]triazol-4-one
PubChem CID2910333
Molecular FormulaC15H9N3O2
Molecular Weight263.26 g/mol
Exact Mass263.07
IUPAC Name1-phenylchromeno[3,4-d]triazol-4-one
SMILESO=c1oc2ccccc2c2c1nnn2-c1ccccc1
InChIInChI=1S/C15H9N3O2/c19-15-13-14(11-8-4-5-9-12(11)20-15)18(17-16-13)10-6-2-1-3-7-10/h1-9H
InChIKeyFTYPJGALJIEXRU-UHFFFAOYSA-N
XLogP2.53
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-phenyl-1H,4H-chromeno[4,3-c]pyrazol-4-one
CID 2793709
3-methyl-2-phenylchromeno[4,3-c]pyrazol-4(2H)-one
CID 15569045
1-Ethylchromeno[3,4-d]triazol-4-one
CID 805720
ST51001558
CID 342056
1-(2-Methylphenyl)chromeno[3,4-d]triazol-4-one
CID 3241794
2-methyl-1-phenylchromeno[3,4-d]imidazol-4(1H)-one
CID 773647
1-sec-Butyl-1H-5-oxa-1,2,3-triaza-cyclopenta[a]naphthalen-4-one
CID 3145905
1-(4-methylphenyl)chromeno[3,4-d][1,2,3]triazol-4(1H)-one
CID 3241020
3-methyl-1-(p-tolyl)chromeno[4,3-c]pyrazol-4(1H)-one
CID 13949092
3-methyl-1-(m-tolyl)chromeno[4,3-c]pyrazol-4(1H)-one
CID 13949093
1-(4-Methoxyphenyl)-3-methylchromeno[3,4-d]pyrazol-4-one
CID 13949102
1-(3-Methoxyphenyl)-3-methylchromeno[3,4-d]pyrazol-4-one
CID 13949103

Frequently Asked Questions

What is the IUPAC name of 1-phenylchromeno[3,4-d]triazol-4-one?
The IUPAC name of 1-phenylchromeno[3,4-d]triazol-4-one (CID 2910333) is 1-phenylchromeno[3,4-d]triazol-4-one.
What is the SMILES notation for 1-phenylchromeno[3,4-d]triazol-4-one?
The canonical SMILES for 1-phenylchromeno[3,4-d]triazol-4-one is O=c1oc2ccccc2c2c1nnn2-c1ccccc1.
What is the InChIKey of 1-phenylchromeno[3,4-d]triazol-4-one?
The InChIKey is FTYPJGALJIEXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2/c19-15-13-14(11-8-4-5-9-12(11)20-15)18(17-16-13)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 1-phenylchromeno[3,4-d]triazol-4-one?
1-phenylchromeno[3,4-d]triazol-4-one has a molecular weight of 263.26 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylchromeno[3,4-d]triazol-4-one is sourced from PubChem (CID 2910333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).