N-[(2,4-dichlorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-4-amine

C18H16Cl2N4 — CID 6475898

IUPACN-[(2,4-dichlorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-4-amine
SMILESClc1ccc(CN(C/C=C/c2ccccc2)n2cnnc2)c(Cl)c1
InChIInChI=1S/C18H16Cl2N4/c19-17-9-8-16(18(20)11-17)12-23(24-13-21-22-14-24)10-4-7-15-5-2-1-3-6-15/h1-9,11,13-14H,10,12H2/b7-4+
InChIKeyCOAFHWFBQPQOPD-QPJJXVBHSA-N
MW359.26 g/mol
LogP4.44
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-4-amine

N-[(2,4-dichlorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-4-amine (PubChem CID 6475898) has the molecular formula C18H16Cl2N4 and a molecular weight of 359.26 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-4-amine
PubChem CID6475898
Molecular FormulaC18H16Cl2N4
Molecular Weight359.26 g/mol
Exact Mass358.08
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-4-amine
SMILESClc1ccc(CN(C/C=C/c2ccccc2)n2cnnc2)c(Cl)c1
InChIInChI=1S/C18H16Cl2N4/c19-17-9-8-16(18(20)11-17)12-23(24-13-21-22-14-24)10-4-7-15-5-2-1-3-6-15/h1-9,11,13-14H,10,12H2/b7-4+
InChIKeyCOAFHWFBQPQOPD-QPJJXVBHSA-N
XLogP4.44
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-1-amine
CID 6475899
(E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-phenylprop-2-en-1-amine
CID 14697965
N-(naphthalen-1-ylmethyl)-N-[(E)-4-phenylbut-3-enyl]-1,2,4-triazol-4-amine
CID 44579447
2,4-dichloro-1-(2-phenylethenyl)benzene
CID 66779322
N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 3936376
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 4542426
N-benzyl-2-chloro-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 63389500
4-(2,4-dichlorophenyl)-1-(2-phenylethenyl)imidazole
CID 141094187
2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid
CID 55246702
2,4-dichloro-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzene
CID 173119979
3-[N-[(2,4-dichlorophenyl)methyl]anilino]propanoic acid
CID 60839245
2-[(2,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 35268423

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-4-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-4-amine (CID 6475898) is N-[(2,4-dichlorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-4-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-4-amine is Clc1ccc(CN(C/C=C/c2ccccc2)n2cnnc2)c(Cl)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-4-amine?
The InChIKey is COAFHWFBQPQOPD-QPJJXVBHSA-N. The full InChI is InChI=1S/C18H16Cl2N4/c19-17-9-8-16(18(20)11-17)12-23(24-13-21-22-14-24)10-4-7-15-5-2-1-3-6-15/h1-9,11,13-14H,10,12H2/b7-4+.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-4-amine?
N-[(2,4-dichlorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-4-amine has a molecular weight of 359.26 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 6475898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).