3-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

C13H13N5O — CID 135537205

IUPAC3-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(NN=C2CCc3ccccc32)[nH]c1=O
InChIInChI=1S/C13H13N5O/c1-8-12(19)14-13(17-15-8)18-16-11-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3,(H2,14,17,18,19)
InChIKeyKDYGBORSQMQCCE-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.24
Rot. Bonds2

About 3-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

3-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135537205) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135537205
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name3-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(NN=C2CCc3ccccc32)[nH]c1=O
InChIInChI=1S/C13H13N5O/c1-8-12(19)14-13(17-15-8)18-16-11-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3,(H2,14,17,18,19)
InChIKeyKDYGBORSQMQCCE-UHFFFAOYSA-N
XLogP1.24
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (CID 135537205) is 3-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is Cc1nnc(NN=C2CCc3ccccc32)[nH]c1=O.
What is the InChIKey of 3-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is KDYGBORSQMQCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-12(19)14-13(17-15-8)18-16-11-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3,(H2,14,17,18,19).
What are the key properties of 3-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
3-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 255.28 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135537205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).