N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine

C17H16Cl2N4O2 — CID 66539592

IUPACN-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine
SMILESCOc1cc(CNn2cnnc2)c(Cl)cc1OCc1ccccc1Cl
InChIInChI=1S/C17H16Cl2N4O2/c1-24-16-6-13(8-22-23-10-20-21-11-23)15(19)7-17(16)25-9-12-4-2-3-5-14(12)18/h2-7,10-11,22H,8-9H2,1H3
InChIKeyAYXUMMFOGMOSAT-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.92
Rot. Bonds7

About N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine

N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine (PubChem CID 66539592) has the molecular formula C17H16Cl2N4O2 and a molecular weight of 379.25 g/mol. Its IUPAC name is N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound NameN-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine
PubChem CID66539592
Molecular FormulaC17H16Cl2N4O2
Molecular Weight379.25 g/mol
Exact Mass378.07
IUPAC NameN-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine
SMILESCOc1cc(CNn2cnnc2)c(Cl)cc1OCc1ccccc1Cl
InChIInChI=1S/C17H16Cl2N4O2/c1-24-16-6-13(8-22-23-10-20-21-11-23)15(19)7-17(16)25-9-12-4-2-3-5-14(12)18/h2-7,10-11,22H,8-9H2,1H3
InChIKeyAYXUMMFOGMOSAT-UHFFFAOYSA-N
XLogP3.92
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine
CID 66539612
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclopropanamine
CID 66529595
4-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 66539604
2-[2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol
CID 66537211
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine
CID 66529624
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1,2,4-triazol-4-amine
CID 1273419
3-chloro-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-methoxyaniline
CID 66542482
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methoxyethanamine
CID 66531260
N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1,2,4-triazol-4-amine
CID 66544594
N-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]propan-2-amine
CID 66529430
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3,5-dichloroaniline
CID 66544818
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 66529636

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine?
The IUPAC name of N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine (CID 66539592) is N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine?
The canonical SMILES for N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine is COc1cc(CNn2cnnc2)c(Cl)cc1OCc1ccccc1Cl.
What is the InChIKey of N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine?
The InChIKey is AYXUMMFOGMOSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O2/c1-24-16-6-13(8-22-23-10-20-21-11-23)15(19)7-17(16)25-9-12-4-2-3-5-14(12)18/h2-7,10-11,22H,8-9H2,1H3.
What are the key properties of N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine?
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine has a molecular weight of 379.25 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 66539592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).