1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazol-4-amine

C18H20N4O4 — CID 73333291

IUPAC1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazol-4-amine
SMILESCOc1ccc(-n2nnc(N)c2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H20N4O4/c1-23-13-7-5-12(6-8-13)22-16(18(19)20-21-22)11-9-14(24-2)17(26-4)15(10-11)25-3/h5-10H,19H2,1-4H3
InChIKeyVFOXVLIPSYMQEK-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.55
Rot. Bonds6

About 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazol-4-amine

1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazol-4-amine (PubChem CID 73333291) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazol-4-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazol-4-amine
PubChem CID73333291
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazol-4-amine
SMILESCOc1ccc(-n2nnc(N)c2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H20N4O4/c1-23-13-7-5-12(6-8-13)22-16(18(19)20-21-22)11-9-14(24-2)17(26-4)15(10-11)25-3/h5-10H,19H2,1-4H3
InChIKeyVFOXVLIPSYMQEK-UHFFFAOYSA-N
XLogP2.55
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)imidazole
CID 56943298
[1-(4-methoxyphenyl)tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol
CID 102263407
3,4,5-trimethoxy-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]aniline
CID 102263409
1,5-bis(4-methoxyphenyl)triazole-4-carbaldehyde
CID 94937024
5-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carbaldehyde
CID 94937028
1,7-bis(4-methoxyphenyl)triazolo[4,5-f]benzotriazole-4,8-dione
CID 139192212
5-(3-aminophenyl)-1-(4-methoxyphenyl)triazole-4-carboxylic acid
CID 94940637
1-(4-phenoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazole
CID 25067758
4-[4-(aminomethyl)-5-(4-methoxyphenyl)triazol-1-yl]phenol
CID 82194969
1-ethyl-5-(4-methoxyphenyl)triazol-4-amine
CID 105472459
5-tert-butyl-3-(4-methoxyphenyl)triazol-4-amine
CID 166024360
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine
CID 126672991

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazol-4-amine?
The IUPAC name of 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazol-4-amine (CID 73333291) is 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazol-4-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazol-4-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazol-4-amine is COc1ccc(-n2nnc(N)c2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazol-4-amine?
The InChIKey is VFOXVLIPSYMQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-23-13-7-5-12(6-8-13)22-16(18(19)20-21-22)11-9-14(24-2)17(26-4)15(10-11)25-3/h5-10H,19H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazol-4-amine?
1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazol-4-amine has a molecular weight of 356.38 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazol-4-amine is sourced from PubChem (CID 73333291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).