N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine

C18H20N4O2 — CID 834667

IUPACN-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine
SMILESCOc1cc(CNc2ncn[nH]2)ccc1OCc1cccc(C)c1
InChIInChI=1S/C18H20N4O2/c1-13-4-3-5-15(8-13)11-24-16-7-6-14(9-17(16)23-2)10-19-18-20-12-21-22-18/h3-9,12H,10-11H2,1-2H3,(H2,19,20,21,22)
InChIKeyYBAXOHWRIURGGV-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.31
Rot. Bonds7

About N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine

N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine (PubChem CID 834667) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine
PubChem CID834667
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine
SMILESCOc1cc(CNc2ncn[nH]2)ccc1OCc1cccc(C)c1
InChIInChI=1S/C18H20N4O2/c1-13-4-3-5-15(8-13)11-24-16-7-6-14(9-17(16)23-2)10-19-18-20-12-21-22-18/h3-9,12H,10-11H2,1-2H3,(H2,19,20,21,22)
InChIKeyYBAXOHWRIURGGV-UHFFFAOYSA-N
XLogP3.31
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-{3-methoxy-4-[(2-methylbenzyl)oxy]benzyl}-1H-1,2,4-triazol-3-amine
CID 834669
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4725761
N-(1,3-Benzodioxol-5-ylmethyl)-1H-1,2,4-triazol-5-amine
CID 585536
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine
CID 760178
(2-methoxy-5-{[4-methoxy-3-(sulfamoyloxy)phenyl](1H-1,2,4-triazol-1-yl)methyl}phenyl) sulfamate
CID 11540334
[2-(4-Fluoro-benzyloxy)-3-methoxy-benzyl]-[1,2,4]triazol-4-yl-amine
CID 652616
N-(4-{[4-(benzyloxy)-3-methoxybenzyl]amino}benzyl)-1H-1,2,4-triazol-5-amine
CID 979433
1-butyl-N-(3,4-dimethoxybenzyl)-1H-tetrazol-5-amine
CID 1817983
(2-Allyloxy-3-ethoxy-benzyl)-(1H-[1,2,4]triazol-3-yl)-amine
CID 2212990
N-{[2-(allyloxy)-1-naphthyl]methyl}-1H-1,2,4-triazol-3-amine
CID 2215472
N-(4-{[4-(benzyloxy)-3-ethoxybenzyl]amino}benzyl)-1H-1,2,4-triazol-5-amine
CID 2219220
N,N'-bis(3,4-dimethoxybenzyl)-1H-1,2,4-triazole-3,5-diamine
CID 2236501

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine (CID 834667) is N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine is COc1cc(CNc2ncn[nH]2)ccc1OCc1cccc(C)c1.
What is the InChIKey of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine?
The InChIKey is YBAXOHWRIURGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-4-3-5-15(8-13)11-24-16-7-6-14(9-17(16)23-2)10-19-18-20-12-21-22-18/h3-9,12H,10-11H2,1-2H3,(H2,19,20,21,22).
What are the key properties of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine?
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine has a molecular weight of 324.38 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 834667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).