5-N-[2-(4-methoxyphenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine

C18H26N6O2 — CID 112945274

IUPAC5-N-[2-(4-methoxyphenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
SMILESCOc1ccc(CCNc2cnnc(NCCN3CCOCC3)n2)cc1
InChIInChI=1S/C18H26N6O2/c1-25-16-4-2-15(3-5-16)6-7-19-17-14-21-23-18(22-17)20-8-9-24-10-12-26-13-11-24/h2-5,14H,6-13H2,1H3,(H2,19,20,22,23)
InChIKeyNZGYWAKCBAINGW-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.28
Rot. Bonds9

About 5-N-[2-(4-methoxyphenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine

5-N-[2-(4-methoxyphenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112945274) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 5-N-[2-(4-methoxyphenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(4-methoxyphenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
PubChem CID112945274
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name5-N-[2-(4-methoxyphenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
SMILESCOc1ccc(CCNc2cnnc(NCCN3CCOCC3)n2)cc1
InChIInChI=1S/C18H26N6O2/c1-25-16-4-2-15(3-5-16)6-7-19-17-14-21-23-18(22-17)20-8-9-24-10-12-26-13-11-24/h2-5,14H,6-13H2,1H3,(H2,19,20,22,23)
InChIKeyNZGYWAKCBAINGW-UHFFFAOYSA-N
XLogP1.28
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-N-[2-(4-methoxyphenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine with MolForge

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Related Compounds

3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945103
5-N-tert-butyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945299
5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945310
5-N-[2-(3-methoxyphenyl)ethyl]-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954114
3-N-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112939328
5-N-cyclopropyl-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112939131
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887463
3-N-(2,6-dimethylphenyl)-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945153
3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954340
5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945415
5-N-[2-(3-chlorophenyl)ethyl]-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954466
5-N-[2-(4-methoxyphenyl)ethyl]-3-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950891

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(4-methoxyphenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-[2-(4-methoxyphenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine (CID 112945274) is 5-N-[2-(4-methoxyphenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-[2-(4-methoxyphenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-[2-(4-methoxyphenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine is COc1ccc(CCNc2cnnc(NCCN3CCOCC3)n2)cc1.
What is the InChIKey of 5-N-[2-(4-methoxyphenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is NZGYWAKCBAINGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-25-16-4-2-15(3-5-16)6-7-19-17-14-21-23-18(22-17)20-8-9-24-10-12-26-13-11-24/h2-5,14H,6-13H2,1H3,(H2,19,20,22,23).
What are the key properties of 5-N-[2-(4-methoxyphenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine?
5-N-[2-(4-methoxyphenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 358.45 g/mol, XLogP of 1.28, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(4-methoxyphenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112945274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).