3-N-[[2-(3,5-dimethoxyphenoxy)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine

C17H19N5O3 — CID 155561208

IUPAC3-N-[[2-(3,5-dimethoxyphenoxy)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCOc1cc(OC)cc(Oc2ccccc2CNc2n[nH]c(N)n2)c1
InChIInChI=1S/C17H19N5O3/c1-23-12-7-13(24-2)9-14(8-12)25-15-6-4-3-5-11(15)10-19-17-20-16(18)21-22-17/h3-9H,10H2,1-2H3,(H4,18,19,20,21,22)
InChIKeyJAVXQHRNFYFSSG-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.81
Rot. Bonds7

About 3-N-[[2-(3,5-dimethoxyphenoxy)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine

3-N-[[2-(3,5-dimethoxyphenoxy)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine (PubChem CID 155561208) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-N-[[2-(3,5-dimethoxyphenoxy)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[[2-(3,5-dimethoxyphenoxy)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
PubChem CID155561208
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name3-N-[[2-(3,5-dimethoxyphenoxy)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCOc1cc(OC)cc(Oc2ccccc2CNc2n[nH]c(N)n2)c1
InChIInChI=1S/C17H19N5O3/c1-23-12-7-13(24-2)9-14(8-12)25-15-6-4-3-5-11(15)10-19-17-20-16(18)21-22-17/h3-9H,10H2,1-2H3,(H4,18,19,20,21,22)
InChIKeyJAVXQHRNFYFSSG-UHFFFAOYSA-N
XLogP2.81
TPSA107.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-N-[(4-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 71420765
3-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
CID 66274945
N-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63069839
3-N-[[2-chloro-6-(4-methylsulfanylphenoxy)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
CID 118297760
1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43589963
3-[2-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methyl]-3-chlorophenoxy]benzaldehyde
CID 163683627
N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 961498
3-methoxy-5-naphthalen-1-yloxyaniline
CID 80748267
1,3-dimethoxy-5-(2-methoxyphenoxy)benzene
CID 14020528
3-N-(1H-pyrazol-5-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 66277126
3-N-(2-methyl-2-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine
CID 66275612
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238

Frequently Asked Questions

What is the IUPAC name of 3-N-[[2-(3,5-dimethoxyphenoxy)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-[[2-(3,5-dimethoxyphenoxy)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine (CID 155561208) is 3-N-[[2-(3,5-dimethoxyphenoxy)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-[[2-(3,5-dimethoxyphenoxy)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-[[2-(3,5-dimethoxyphenoxy)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine is COc1cc(OC)cc(Oc2ccccc2CNc2n[nH]c(N)n2)c1.
What is the InChIKey of 3-N-[[2-(3,5-dimethoxyphenoxy)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is JAVXQHRNFYFSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-23-12-7-13(24-2)9-14(8-12)25-15-6-4-3-5-11(15)10-19-17-20-16(18)21-22-17/h3-9H,10H2,1-2H3,(H4,18,19,20,21,22).
What are the key properties of 3-N-[[2-(3,5-dimethoxyphenoxy)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine?
3-N-[[2-(3,5-dimethoxyphenoxy)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 341.37 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[2-(3,5-dimethoxyphenoxy)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 155561208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).