N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine

C18H20N4O2 — CID 892189

IUPACN-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine
SMILESCCOc1cccc(CNn2cnnc2)c1OCc1ccccc1
InChIInChI=1S/C18H20N4O2/c1-2-23-17-10-6-9-16(11-21-22-13-19-20-14-22)18(17)24-12-15-7-4-3-5-8-15/h3-10,13-14,21H,2,11-12H2,1H3
InChIKeyPJWFDJIBROFYTN-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.00
Rot. Bonds8

About N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine

N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine (PubChem CID 892189) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine
PubChem CID892189
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine
SMILESCCOc1cccc(CNn2cnnc2)c1OCc1ccccc1
InChIInChI=1S/C18H20N4O2/c1-2-23-17-10-6-9-16(11-21-22-13-19-20-14-22)18(17)24-12-15-7-4-3-5-8-15/h3-10,13-14,21H,2,11-12H2,1H3
InChIKeyPJWFDJIBROFYTN-UHFFFAOYSA-N
XLogP3.00
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.00
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-cyclohexyl-2-{2-methoxy-4-[(4H-1,2,4-triazol-4-ylamino)methyl]phenoxy}acetamide
CID 979530
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-(4-Fluoro-benzyloxy)-3-methoxy-benzyl]-[1,2,4]triazol-4-yl-amine
CID 652616
N-cyclohexyl-2-{2-ethoxy-4-[(4H-1,2,4-triazol-4-ylamino)methyl]phenoxy}acetamide
CID 1017572
[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

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine?
The IUPAC name of N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine (CID 892189) is N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine?
The canonical SMILES for N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine is CCOc1cccc(CNn2cnnc2)c1OCc1ccccc1.
What is the InChIKey of N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine?
The InChIKey is PJWFDJIBROFYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-23-17-10-6-9-16(11-21-22-13-19-20-14-22)18(17)24-12-15-7-4-3-5-8-15/h3-10,13-14,21H,2,11-12H2,1H3.
What are the key properties of N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine?
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine has a molecular weight of 324.38 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 892189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).