N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine

C17H16ClFN4O2 — CID 4727328

IUPACN-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine
SMILESCOc1cc(CNn2cnnc2)cc(Cl)c1OCc1ccccc1F
InChIInChI=1S/C17H16ClFN4O2/c1-24-16-7-12(8-22-23-10-20-21-11-23)6-14(18)17(16)25-9-13-4-2-3-5-15(13)19/h2-7,10-11,22H,8-9H2,1H3
InChIKeyBZJWUGHEYCZLTJ-UHFFFAOYSA-N
MW362.79 g/mol
LogP3.40
Rot. Bonds7

About N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine

N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine (PubChem CID 4727328) has the molecular formula C17H16ClFN4O2 and a molecular weight of 362.79 g/mol. Its IUPAC name is N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound NameN-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine
PubChem CID4727328
Molecular FormulaC17H16ClFN4O2
Molecular Weight362.79 g/mol
Exact Mass362.09
IUPAC NameN-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine
SMILESCOc1cc(CNn2cnnc2)cc(Cl)c1OCc1ccccc1F
InChIInChI=1S/C17H16ClFN4O2/c1-24-16-7-12(8-22-23-10-20-21-11-23)6-14(18)17(16)25-9-13-4-2-3-5-15(13)19/h2-7,10-11,22H,8-9H2,1H3
InChIKeyBZJWUGHEYCZLTJ-UHFFFAOYSA-N
XLogP3.40
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine with MolForge

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Related Compounds

N-{3-chloro-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzyl}-1H-tetrazol-5-amine
CID 4727668
[2-(4-Fluoro-benzyloxy)-3-methoxy-benzyl]-[1,2,4]triazol-4-yl-amine
CID 652616
4-((3-Chloro-4-((4-fluorobenzyl)oxy)-5-methoxybenzyl)amino)-4H-1,2,4-triazole-3-thiol
CID 1017025
[2-(2-Chloro-benzyloxy)-3-ethoxy-benzyl]-[1,2,4]triazol-4-yl-amine
CID 1087687
4-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-1,2,4-triazole-5-thione
CID 1314765
N-tert-Butyl-2-[2-chloro-6-ethoxy-4-([1,2,4]triazol-4-ylaminomethyl)-phenoxy]-acetamide
CID 1017337
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1,2,4-triazol-4-amine
CID 667349
N-[2-(benzyloxy)-3-ethoxybenzyl]-4H-1,2,4-triazol-4-amine
CID 892189
N-{3-chloro-5-methoxy-4-[(4-methylbenzyl)oxy]benzyl}-2H-tetrazol-5-amine
CID 17057707
N-[[2-[2-(4-butan-2-ylphenoxy)ethoxy]-5-chlorophenyl]methyl]-1,2,4-triazol-4-amine
CID 155553350
N-[4-(benzyloxy)-3-chloro-5-methoxybenzyl]-4H-1,2,4-triazol-4-amine
CID 4727316
N~1~-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxybenzyl}-1H-tetrazole-1,5-diamine
CID 4727329

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine?
The IUPAC name of N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine (CID 4727328) is N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine?
The canonical SMILES for N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine is COc1cc(CNn2cnnc2)cc(Cl)c1OCc1ccccc1F.
What is the InChIKey of N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine?
The InChIKey is BZJWUGHEYCZLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O2/c1-24-16-7-12(8-22-23-10-20-21-11-23)6-14(18)17(16)25-9-13-4-2-3-5-15(13)19/h2-7,10-11,22H,8-9H2,1H3.
What are the key properties of N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine?
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine has a molecular weight of 362.79 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 4727328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).