4-[(4-bromophenyl)methylideneamino]-6-methyl-3-pyridin-4-yl-1,2,4-triazin-5-one

C16H12BrN5O — CID 5099373

IUPAC4-[(4-bromophenyl)methylideneamino]-6-methyl-3-pyridin-4-yl-1,2,4-triazin-5-one
SMILESCc1nnc(-c2ccncc2)n(N=Cc2ccc(Br)cc2)c1=O
InChIInChI=1S/C16H12BrN5O/c1-11-16(23)22(19-10-12-2-4-14(17)5-3-12)15(21-20-11)13-6-8-18-9-7-13/h2-10H,1H3
InChIKeyDWPRGBGLLZZZCH-UHFFFAOYSA-N
MW370.21 g/mol
LogP2.65
Rot. Bonds3

About 4-[(4-bromophenyl)methylideneamino]-6-methyl-3-pyridin-4-yl-1,2,4-triazin-5-one

4-[(4-bromophenyl)methylideneamino]-6-methyl-3-pyridin-4-yl-1,2,4-triazin-5-one (PubChem CID 5099373) has the molecular formula C16H12BrN5O and a molecular weight of 370.21 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methylideneamino]-6-methyl-3-pyridin-4-yl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-[(4-bromophenyl)methylideneamino]-6-methyl-3-pyridin-4-yl-1,2,4-triazin-5-one
PubChem CID5099373
Molecular FormulaC16H12BrN5O
Molecular Weight370.21 g/mol
Exact Mass369.02
IUPAC Name4-[(4-bromophenyl)methylideneamino]-6-methyl-3-pyridin-4-yl-1,2,4-triazin-5-one
SMILESCc1nnc(-c2ccncc2)n(N=Cc2ccc(Br)cc2)c1=O
InChIInChI=1S/C16H12BrN5O/c1-11-16(23)22(19-10-12-2-4-14(17)5-3-12)15(21-20-11)13-6-8-18-9-7-13/h2-10H,1H3
InChIKeyDWPRGBGLLZZZCH-UHFFFAOYSA-N
XLogP2.65
TPSA73.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-6-methyl-3-pyridin-4-yl-1,2,4-triazin-5-one
CID 135710731
2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one
CID 4025421
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
1-(4-bromophenyl)-N-[3-ethylsulfanyl-5-(4-methoxyphenyl)-1,2,4-triazol-4-yl]methanimine
CID 3286004
4-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-6-methyl-3-methylsulfanyl-1,2,4-triazin-5-one
CID 136786789
3-[(4-bromophenyl)methylideneamino]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 2237864
4-[(Z)-(4-methylphenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
CID 5425033
4-[(E)-(4-bromophenyl)methylideneamino]-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
CID 6864486
4-[(Z)-(4-chlorophenyl)methylideneamino]-6-methyl-2H-1,2,4-triazine-3,5-dione
CID 6026682
4-[(Z)-(4-methoxyphenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
CID 5423312
6-methyl-3-methylsulfanyl-4-[(Z)-(4-propoxyphenyl)methylideneamino]-1,2,4-triazin-5-one
CID 110507822
4-[(Z)-(4-butoxyphenyl)methylideneamino]-6-methyl-3-methylsulfanyl-1,2,4-triazin-5-one
CID 110507823

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methylideneamino]-6-methyl-3-pyridin-4-yl-1,2,4-triazin-5-one?
The IUPAC name of 4-[(4-bromophenyl)methylideneamino]-6-methyl-3-pyridin-4-yl-1,2,4-triazin-5-one (CID 5099373) is 4-[(4-bromophenyl)methylideneamino]-6-methyl-3-pyridin-4-yl-1,2,4-triazin-5-one.
What is the SMILES notation for 4-[(4-bromophenyl)methylideneamino]-6-methyl-3-pyridin-4-yl-1,2,4-triazin-5-one?
The canonical SMILES for 4-[(4-bromophenyl)methylideneamino]-6-methyl-3-pyridin-4-yl-1,2,4-triazin-5-one is Cc1nnc(-c2ccncc2)n(N=Cc2ccc(Br)cc2)c1=O.
What is the InChIKey of 4-[(4-bromophenyl)methylideneamino]-6-methyl-3-pyridin-4-yl-1,2,4-triazin-5-one?
The InChIKey is DWPRGBGLLZZZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN5O/c1-11-16(23)22(19-10-12-2-4-14(17)5-3-12)15(21-20-11)13-6-8-18-9-7-13/h2-10H,1H3.
What are the key properties of 4-[(4-bromophenyl)methylideneamino]-6-methyl-3-pyridin-4-yl-1,2,4-triazin-5-one?
4-[(4-bromophenyl)methylideneamino]-6-methyl-3-pyridin-4-yl-1,2,4-triazin-5-one has a molecular weight of 370.21 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methylideneamino]-6-methyl-3-pyridin-4-yl-1,2,4-triazin-5-one is sourced from PubChem (CID 5099373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).