3,5-bis(phenoxymethyl)-1,2,4-triazol-4-amine

C16H16N4O2 — CID 626571

IUPAC3,5-bis(phenoxymethyl)-1,2,4-triazol-4-amine
SMILESNn1c(COc2ccccc2)nnc1COc1ccccc1
InChIInChI=1S/C16H16N4O2/c17-20-15(11-21-13-7-3-1-4-8-13)18-19-16(20)12-22-14-9-5-2-6-10-14/h1-10H,11-12,17H2
InChIKeyQCCXSPLAUHVWMJ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.15
Rot. Bonds6

About 3,5-bis(phenoxymethyl)-1,2,4-triazol-4-amine

3,5-bis(phenoxymethyl)-1,2,4-triazol-4-amine (PubChem CID 626571) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3,5-bis(phenoxymethyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3,5-bis(phenoxymethyl)-1,2,4-triazol-4-amine
PubChem CID626571
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name3,5-bis(phenoxymethyl)-1,2,4-triazol-4-amine
SMILESNn1c(COc2ccccc2)nnc1COc1ccccc1
InChIInChI=1S/C16H16N4O2/c17-20-15(11-21-13-7-3-1-4-8-13)18-19-16(20)12-22-14-9-5-2-6-10-14/h1-10H,11-12,17H2
InChIKeyQCCXSPLAUHVWMJ-UHFFFAOYSA-N
XLogP2.15
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,5-bis(phenoxymethyl)-1,2,4-triazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117256973
3-amino-2-(phenoxymethyl)pyrido[3,4-d]pyrimidin-4-one
CID 174707920
4-ethyl-3-methylsulfanyl-5-(phenoxymethyl)-1,2,4-triazole
CID 862964
5-(phenoxymethyl)-1-trityltetrazole
CID 139692686
[3-(phenoxymethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methanamine
CID 82484602
4-benzyl-3-[6-[4-benzyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]hexyl]-5-(phenoxymethyl)-1,2,4-triazole
CID 11479040
6-bromo-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080163
N,4-diethyl-5-(phenoxymethyl)-1,2,4-triazol-3-amine
CID 112596730
3-[(3-methoxyphenoxy)methyl]-5-(3-phenylpropylsulfanyl)-1,2,4-triazol-4-amine
CID 46583445
[1-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methanamine
CID 82472130
3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82058940
3-(phenoxymethyl)-4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazole
CID 865870

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(phenoxymethyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3,5-bis(phenoxymethyl)-1,2,4-triazol-4-amine (CID 626571) is 3,5-bis(phenoxymethyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3,5-bis(phenoxymethyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3,5-bis(phenoxymethyl)-1,2,4-triazol-4-amine is Nn1c(COc2ccccc2)nnc1COc1ccccc1.
What is the InChIKey of 3,5-bis(phenoxymethyl)-1,2,4-triazol-4-amine?
The InChIKey is QCCXSPLAUHVWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c17-20-15(11-21-13-7-3-1-4-8-13)18-19-16(20)12-22-14-9-5-2-6-10-14/h1-10H,11-12,17H2.
What are the key properties of 3,5-bis(phenoxymethyl)-1,2,4-triazol-4-amine?
3,5-bis(phenoxymethyl)-1,2,4-triazol-4-amine has a molecular weight of 296.33 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(phenoxymethyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 626571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).