3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine

C15H21N5O2 — CID 112938365

IUPAC3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine
SMILESCCCNc1cnnc(NCCOc2ccc(OC)cc2)n1
InChIInChI=1S/C15H21N5O2/c1-3-8-16-14-11-18-20-15(19-14)17-9-10-22-13-6-4-12(21-2)5-7-13/h4-7,11H,3,8-10H2,1-2H3,(H2,16,17,19,20)
InChIKeyXDWOVNSKMGDIBQ-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.19
Rot. Bonds9

About 3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine

3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine (PubChem CID 112938365) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine
PubChem CID112938365
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine
SMILESCCCNc1cnnc(NCCOc2ccc(OC)cc2)n1
InChIInChI=1S/C15H21N5O2/c1-3-8-16-14-11-18-20-15(19-14)17-9-10-22-13-6-4-12(21-2)5-7-13/h4-7,11H,3,8-10H2,1-2H3,(H2,16,17,19,20)
InChIKeyXDWOVNSKMGDIBQ-UHFFFAOYSA-N
XLogP2.19
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-N-(4-ethoxyphenyl)-3-N-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazine-3,5-diamine
CID 112958780
3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112958741
5-N-[2-(4-methoxyphenoxy)ethyl]-3-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950913
5-N-(2,4-dimethoxyphenyl)-3-N-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazine-3,5-diamine
CID 112958785
5-N-(2,5-dimethoxyphenyl)-3-N-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazine-3,5-diamine
CID 112958784
5-N-[2-(4-methoxyphenoxy)ethyl]-3-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112958706
5-N-(2-fluorophenyl)-3-N-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazine-3,5-diamine
CID 112958765
3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazine-3,5-diamine
CID 112951454
3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112958758
5-N-(2-methoxy-5-methylphenyl)-3-N-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazine-3,5-diamine
CID 112958781
2-[[5-[2-(4-methoxyphenoxy)ethylamino]-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112958724
5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938570

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine (CID 112938365) is 3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine is CCCNc1cnnc(NCCOc2ccc(OC)cc2)n1.
What is the InChIKey of 3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine?
The InChIKey is XDWOVNSKMGDIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-3-8-16-14-11-18-20-15(19-14)17-9-10-22-13-6-4-12(21-2)5-7-13/h4-7,11H,3,8-10H2,1-2H3,(H2,16,17,19,20).
What are the key properties of 3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine?
3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine has a molecular weight of 303.37 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112938365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).