N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-3-phenylprop-2-enehydrazonoyl bromide

C20H24BrN7O2 — CID 1000397

IUPACN-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-3-phenylprop-2-enehydrazonoyl bromide
SMILESBrC(C=Cc1ccccc1)=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H24BrN7O2/c21-17(7-6-16-4-2-1-3-5-16)25-26-18-22-19(27-8-12-29-13-9-27)24-20(23-18)28-10-14-30-15-11-28/h1-7H,8-15H2,(H,22,23,24,26)
InChIKeyQEJRAQJWLWLEOF-UHFFFAOYSA-N
MW474.36 g/mol
LogP2.38
Rot. Bonds6

About N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-3-phenylprop-2-enehydrazonoyl bromide

N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-3-phenylprop-2-enehydrazonoyl bromide (PubChem CID 1000397) has the molecular formula C20H24BrN7O2 and a molecular weight of 474.36 g/mol. Its IUPAC name is N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-3-phenylprop-2-enehydrazonoyl bromide.

Molecular Properties

Compound NameN-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-3-phenylprop-2-enehydrazonoyl bromide
PubChem CID1000397
Molecular FormulaC20H24BrN7O2
Molecular Weight474.36 g/mol
Exact Mass473.12
IUPAC NameN-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-3-phenylprop-2-enehydrazonoyl bromide
SMILESBrC(C=Cc1ccccc1)=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H24BrN7O2/c21-17(7-6-16-4-2-1-3-5-16)25-26-18-22-19(27-8-12-29-13-9-27)24-20(23-18)28-10-14-30-15-11-28/h1-7H,8-15H2,(H,22,23,24,26)
InChIKeyQEJRAQJWLWLEOF-UHFFFAOYSA-N
XLogP2.38
TPSA88.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 2849563
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 6870742
N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 6750186
2-N-(cinnamylideneamino)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 78460795
[3-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] benzoate
CID 5334072
4-[(2E)-2-benzylidenehydrazinyl]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 110178614
4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 171981603
2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405
4-[[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 136914409
4-[[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 3667808
4-[2-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,2-diphenylethenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 70504908
2-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 171980798

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-3-phenylprop-2-enehydrazonoyl bromide?
The IUPAC name of N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-3-phenylprop-2-enehydrazonoyl bromide (CID 1000397) is N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-3-phenylprop-2-enehydrazonoyl bromide.
What is the SMILES notation for N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-3-phenylprop-2-enehydrazonoyl bromide?
The canonical SMILES for N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-3-phenylprop-2-enehydrazonoyl bromide is BrC(C=Cc1ccccc1)=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-3-phenylprop-2-enehydrazonoyl bromide?
The InChIKey is QEJRAQJWLWLEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN7O2/c21-17(7-6-16-4-2-1-3-5-16)25-26-18-22-19(27-8-12-29-13-9-27)24-20(23-18)28-10-14-30-15-11-28/h1-7H,8-15H2,(H,22,23,24,26).
What are the key properties of N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-3-phenylprop-2-enehydrazonoyl bromide?
N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-3-phenylprop-2-enehydrazonoyl bromide has a molecular weight of 474.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-3-phenylprop-2-enehydrazonoyl bromide is sourced from PubChem (CID 1000397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).