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

C17H17FN4O2 — CID 652616

IUPACN-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1,2,4-triazol-4-amine
SMILESCOc1cccc(CNn2cnnc2)c1OCc1ccc(F)cc1
InChIInChI=1S/C17H17FN4O2/c1-23-16-4-2-3-14(9-21-22-11-19-20-12-22)17(16)24-10-13-5-7-15(18)8-6-13/h2-8,11-12,21H,9-10H2,1H3
InChIKeyIFLWMJNBKLQJDR-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.75
Rot. Bonds7

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

N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1,2,4-triazol-4-amine (PubChem CID 652616) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1,2,4-triazol-4-amine
PubChem CID652616
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC NameN-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1,2,4-triazol-4-amine
SMILESCOc1cccc(CNn2cnnc2)c1OCc1ccc(F)cc1
InChIInChI=1S/C17H17FN4O2/c1-23-16-4-2-3-14(9-21-22-11-19-20-12-22)17(16)24-10-13-5-7-15(18)8-6-13/h2-8,11-12,21H,9-10H2,1H3
InChIKeyIFLWMJNBKLQJDR-UHFFFAOYSA-N
XLogP2.75
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxy-3-methoxybenzyl)-1-methyl-1H-tetrazol-5-amine
CID 834552
N-{3-methoxy-4-[(3-methylbenzyl)oxy]benzyl}-1H-1,2,4-triazol-3-amine
CID 834667
N-{3-methoxy-4-[(2-methylbenzyl)oxy]benzyl}-1H-1,2,4-triazol-3-amine
CID 834669
N-[(2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine
CID 2193446
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine
CID 760178
2-Methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenol
CID 950750
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4725748
[2-(2-Chloro-benzyloxy)-3-ethoxy-benzyl]-[1,2,4]triazol-4-yl-amine
CID 1087687
(2-Allyloxy-3-ethoxy-benzyl)-(1H-[1,2,4]triazol-3-yl)-amine
CID 2212990
N*1*-(2-Allyloxy-3-methoxy-benzyl)-tetrazole-1,5-diamine
CID 3155255
1H-1,2,4-triazol-3-yl({2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}methyl)amin e
CID 1087688
(2-Allyloxy-3-methoxy-benzyl)-(1H-[1,2,4]triazol-3-yl)-amine
CID 2215585

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1,2,4-triazol-4-amine?
The IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1,2,4-triazol-4-amine (CID 652616) is N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1,2,4-triazol-4-amine?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1,2,4-triazol-4-amine is COc1cccc(CNn2cnnc2)c1OCc1ccc(F)cc1.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1,2,4-triazol-4-amine?
The InChIKey is IFLWMJNBKLQJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-23-16-4-2-3-14(9-21-22-11-19-20-12-22)17(16)24-10-13-5-7-15(18)8-6-13/h2-8,11-12,21H,9-10H2,1H3.
What are the key properties of N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1,2,4-triazol-4-amine?
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1,2,4-triazol-4-amine has a molecular weight of 328.35 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 652616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).