6-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione

C10H8BrN5O2 — CID 4282332

IUPAC6-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NN=Cc2ccc(Br)cc2)c(=O)[nH]1
InChIInChI=1S/C10H8BrN5O2/c11-7-3-1-6(2-4-7)5-12-14-8-9(17)13-10(18)16-15-8/h1-5H,(H,14,15)(H2,13,16,17,18)
InChIKeyKDRJKQLOBQTZQH-UHFFFAOYSA-N
MW310.11 g/mol
LogP0.67
Rot. Bonds3

About 6-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione

6-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione (PubChem CID 4282332) has the molecular formula C10H8BrN5O2 and a molecular weight of 310.11 g/mol. Its IUPAC name is 6-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
PubChem CID4282332
Molecular FormulaC10H8BrN5O2
Molecular Weight310.11 g/mol
Exact Mass308.99
IUPAC Name6-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NN=Cc2ccc(Br)cc2)c(=O)[nH]1
InChIInChI=1S/C10H8BrN5O2/c11-7-3-1-6(2-4-7)5-12-14-8-9(17)13-10(18)16-15-8/h1-5H,(H,14,15)(H2,13,16,17,18)
InChIKeyKDRJKQLOBQTZQH-UHFFFAOYSA-N
XLogP0.67
TPSA103.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 50.67
H-Bond Donors ≤ 53
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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Related Compounds

6-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 135504468
6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 2841509
5-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-tert-butyl-2H-1,2,4-triazin-3-one
CID 110514671
6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 6299832
6-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 135504466
6-[2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 4113380
3-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-tert-butyl-4H-1,2,4-triazin-5-one
CID 135659443
2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 137030483
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
CID 110337447
N-[(4-chlorophenyl)methylideneamino]-3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanamide
CID 687668
(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanamide
CID 5392914
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-(pyridin-4-ylmethylideneamino)acetamide
CID 687805

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione (CID 4282332) is 6-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NN=Cc2ccc(Br)cc2)c(=O)[nH]1.
What is the InChIKey of 6-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is KDRJKQLOBQTZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN5O2/c11-7-3-1-6(2-4-7)5-12-14-8-9(17)13-10(18)16-15-8/h1-5H,(H,14,15)(H2,13,16,17,18).
What are the key properties of 6-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione?
6-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 310.11 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 4282332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).