3-[(2-bromophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chloro-4-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chlorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one;3-[(2-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-methylphenyl)methylideneamino]prop-1-en-2-amine

C62H67BrCl3F2N15O — CID 172973925

IUPAC3-[(2-bromophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chloro-4-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chlorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one;3-[(2-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-methylphenyl)methylideneamino]prop-1-en-2-amine
SMILESC=C(N)C/N=C/c1ccc(F)cc1Cl.C=C(N)C/N=C/c1ccccc1Br.C=C(N)C/N=C/c1ccccc1C.C=C(N)C/N=C/c1ccccc1Cl.C=C(N)C/N=C/c1ccccc1F.Cc1nnc(N/N=C/c2ccccc2Cl)[nH]c1=O
InChIInChI=1S/C11H10ClN5O.C11H14N2.C10H11BrN2.C10H10ClFN2.C10H11ClN2.C10H11FN2/c1-7-10(18)14-11(17-15-7)16-13-6-8-4-2-3-5-9(8)12;1-9-5-3-4-6-11(9)8-13-7-10(2)12;1-8(12)6-13-7-9-4-2-3-5-10(9)11;1-7(13)5-14-6-8-2-3-9(12)4-10(8)11;2*1-8(12)6-13-7-9-4-2-3-5-10(9)11/h2-6H,1H3,(H2,14,16,17,18);3-6,8H,2,7,12H2,1H3;2-5,7H,1,6,12H2;2-4,6H,1,5,13H2;2*2-5,7H,1,6,12H2/b13-6+;13-8+;13-7+;14-6+;2*13-7+
InChIKeyCRFKCBOXJBCBCY-PKDLYXKYSA-N
MW1262.58 g/mol
LogP12.12
Rot. Bonds18

About 3-[(2-bromophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chloro-4-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chlorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one;3-[(2-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-methylphenyl)methylideneamino]prop-1-en-2-amine

3-[(2-bromophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chloro-4-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chlorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one;3-[(2-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-methylphenyl)methylideneamino]prop-1-en-2-amine (PubChem CID 172973925) has the molecular formula C62H67BrCl3F2N15O and a molecular weight of 1262.58 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chloro-4-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chlorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one;3-[(2-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-methylphenyl)methylideneamino]prop-1-en-2-amine.

Molecular Properties

Compound Name3-[(2-bromophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chloro-4-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chlorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one;3-[(2-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-methylphenyl)methylideneamino]prop-1-en-2-amine
PubChem CID172973925
Molecular FormulaC62H67BrCl3F2N15O
Molecular Weight1262.58 g/mol
Exact Mass1259.39
IUPAC Name3-[(2-bromophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chloro-4-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chlorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one;3-[(2-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-methylphenyl)methylideneamino]prop-1-en-2-amine
SMILESC=C(N)C/N=C/c1ccc(F)cc1Cl.C=C(N)C/N=C/c1ccccc1Br.C=C(N)C/N=C/c1ccccc1C.C=C(N)C/N=C/c1ccccc1Cl.C=C(N)C/N=C/c1ccccc1F.Cc1nnc(N/N=C/c2ccccc2Cl)[nH]c1=O
InChIInChI=1S/C11H10ClN5O.C11H14N2.C10H11BrN2.C10H10ClFN2.C10H11ClN2.C10H11FN2/c1-7-10(18)14-11(17-15-7)16-13-6-8-4-2-3-5-9(8)12;1-9-5-3-4-6-11(9)8-13-7-10(2)12;1-8(12)6-13-7-9-4-2-3-5-10(9)11;1-7(13)5-14-6-8-2-3-9(12)4-10(8)11;2*1-8(12)6-13-7-9-4-2-3-5-10(9)11/h2-6H,1H3,(H2,14,16,17,18);3-6,8H,2,7,12H2,1H3;2-5,7H,1,6,12H2;2-4,6H,1,5,13H2;2*2-5,7H,1,6,12H2/b13-6+;13-8+;13-7+;14-6+;2*13-7+
InChIKeyCRFKCBOXJBCBCY-PKDLYXKYSA-N
XLogP12.12
TPSA274.93 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001262.58
LogP ≤ 512.12
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 3-[(2-bromophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chloro-4-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chlorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one;3-[(2-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-methylphenyl)methylideneamino]prop-1-en-2-amine with MolForge

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Related Compounds

3-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135537340
3-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 136733316
3-[2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135447264
6-methyl-3-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135949852
3-[2-[(2-bromophenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135453557
3-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135773796
3-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135590866
5-(2-hydroxyethyl)-4-methyl-2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136788693
4-bromo-2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;3-[(2E)-2-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one;N-[(E)-(5-bromo-3-chloro-2-methylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(Z)-(5-bromo-3-chloro-2-methylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(Z)-(2-methylphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one;6-methyl-3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
CID 172988265
3-[(2Z)-2-[[2-(difluoromethoxy)-3-ethoxyphenyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135784920
N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-methylbenzamide
CID 4980851
6-methyl-3-[(2E)-2-[(2,4,6-trimethylphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135982649

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chloro-4-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chlorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one;3-[(2-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-methylphenyl)methylideneamino]prop-1-en-2-amine?
The IUPAC name of 3-[(2-bromophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chloro-4-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chlorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one;3-[(2-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-methylphenyl)methylideneamino]prop-1-en-2-amine (CID 172973925) is 3-[(2-bromophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chloro-4-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chlorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one;3-[(2-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-methylphenyl)methylideneamino]prop-1-en-2-amine.
What is the SMILES notation for 3-[(2-bromophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chloro-4-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chlorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one;3-[(2-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-methylphenyl)methylideneamino]prop-1-en-2-amine?
The canonical SMILES for 3-[(2-bromophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chloro-4-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chlorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one;3-[(2-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-methylphenyl)methylideneamino]prop-1-en-2-amine is C=C(N)C/N=C/c1ccc(F)cc1Cl.C=C(N)C/N=C/c1ccccc1Br.C=C(N)C/N=C/c1ccccc1C.C=C(N)C/N=C/c1ccccc1Cl.C=C(N)C/N=C/c1ccccc1F.Cc1nnc(N/N=C/c2ccccc2Cl)[nH]c1=O.
What is the InChIKey of 3-[(2-bromophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chloro-4-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chlorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one;3-[(2-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-methylphenyl)methylideneamino]prop-1-en-2-amine?
The InChIKey is CRFKCBOXJBCBCY-PKDLYXKYSA-N. The full InChI is InChI=1S/C11H10ClN5O.C11H14N2.C10H11BrN2.C10H10ClFN2.C10H11ClN2.C10H11FN2/c1-7-10(18)14-11(17-15-7)16-13-6-8-4-2-3-5-9(8)12;1-9-5-3-4-6-11(9)8-13-7-10(2)12;1-8(12)6-13-7-9-4-2-3-5-10(9)11;1-7(13)5-14-6-8-2-3-9(12)4-10(8)11;2*1-8(12)6-13-7-9-4-2-3-5-10(9)11/h2-6H,1H3,(H2,14,16,17,18);3-6,8H,2,7,12H2,1H3;2-5,7H,1,6,12H2;2-4,6H,1,5,13H2;2*2-5,7H,1,6,12H2/b13-6+;13-8+;13-7+;14-6+;2*13-7+.
What are the key properties of 3-[(2-bromophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chloro-4-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chlorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one;3-[(2-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-methylphenyl)methylideneamino]prop-1-en-2-amine?
3-[(2-bromophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chloro-4-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chlorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one;3-[(2-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-methylphenyl)methylideneamino]prop-1-en-2-amine has a molecular weight of 1262.58 g/mol, XLogP of 12.12, 18 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chloro-4-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-chlorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one;3-[(2-fluorophenyl)methylideneamino]prop-1-en-2-amine;3-[(2-methylphenyl)methylideneamino]prop-1-en-2-amine is sourced from PubChem (CID 172973925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).