2-[4-[[7-[[1-(2-aminoethyl)triazol-4-yl]methoxy]-4-ethyl-5-methyl-6H-phenanthridin-8-yl]oxymethyl]triazol-1-yl]ethanamine

C26H33N9O2 — CID 132934378

IUPAC2-[4-[[7-[[1-(2-aminoethyl)triazol-4-yl]methoxy]-4-ethyl-5-methyl-6H-phenanthridin-8-yl]oxymethyl]triazol-1-yl]ethanamine
SMILESCCc1cccc2c1N(C)Cc1c-2ccc(OCc2cn(CCN)nn2)c1OCc1cn(CCN)nn1
InChIInChI=1S/C26H33N9O2/c1-3-18-5-4-6-22-21-7-8-24(36-16-19-13-34(11-9-27)31-29-19)26(23(21)15-33(2)25(18)22)37-17-20-14-35(12-10-28)32-30-20/h4-8,13-14H,3,9-12,15-17,27-28H2,1-2H3
InChIKeyWWFTVTMCBZLXGJ-UHFFFAOYSA-N
MW503.61 g/mol
LogP2.12
Rot. Bonds11

About 2-[4-[[7-[[1-(2-aminoethyl)triazol-4-yl]methoxy]-4-ethyl-5-methyl-6H-phenanthridin-8-yl]oxymethyl]triazol-1-yl]ethanamine

2-[4-[[7-[[1-(2-aminoethyl)triazol-4-yl]methoxy]-4-ethyl-5-methyl-6H-phenanthridin-8-yl]oxymethyl]triazol-1-yl]ethanamine (PubChem CID 132934378) has the molecular formula C26H33N9O2 and a molecular weight of 503.61 g/mol. Its IUPAC name is 2-[4-[[7-[[1-(2-aminoethyl)triazol-4-yl]methoxy]-4-ethyl-5-methyl-6H-phenanthridin-8-yl]oxymethyl]triazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[[7-[[1-(2-aminoethyl)triazol-4-yl]methoxy]-4-ethyl-5-methyl-6H-phenanthridin-8-yl]oxymethyl]triazol-1-yl]ethanamine
PubChem CID132934378
Molecular FormulaC26H33N9O2
Molecular Weight503.61 g/mol
Exact Mass503.28
IUPAC Name2-[4-[[7-[[1-(2-aminoethyl)triazol-4-yl]methoxy]-4-ethyl-5-methyl-6H-phenanthridin-8-yl]oxymethyl]triazol-1-yl]ethanamine
SMILESCCc1cccc2c1N(C)Cc1c-2ccc(OCc2cn(CCN)nn2)c1OCc1cn(CCN)nn1
InChIInChI=1S/C26H33N9O2/c1-3-18-5-4-6-22-21-7-8-24(36-16-19-13-34(11-9-27)31-29-19)26(23(21)15-33(2)25(18)22)37-17-20-14-35(12-10-28)32-30-20/h4-8,13-14H,3,9-12,15-17,27-28H2,1-2H3
InChIKeyWWFTVTMCBZLXGJ-UHFFFAOYSA-N
XLogP2.12
TPSA135.16 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.61
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-[4-[[7-[[1-(2-aminoethyl)triazol-4-yl]methoxy]-4-ethyl-5-methyl-6H-phenanthridin-8-yl]oxymethyl]triazol-1-yl]ethanamine with MolForge

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Related Compounds

2-[4-[[26,27,28-tris[[1-(2-aminoethyl)triazol-4-yl]methoxy]-5,11,17,23-tetramethyl-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxymethyl]triazol-1-yl]ethanamine
CID 139251753
1-methyl-4-(naphthalen-1-yloxymethyl)triazole
CID 102499478
N-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830183
ethyl 2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetate
CID 166241840
4-[[2-bromo-6-(chloromethyl)phenoxy]methyl]-1-methyltriazole
CID 107044094
2-[4-[[[3,5-bis[[[1-(2-aminoethyl)triazol-4-yl]methylamino]methyl]-2,4,6-trimethylphenyl]methylamino]methyl]triazol-1-yl]ethanamine
CID 101168096
2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine
CID 106012253
[2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine
CID 107041260
[3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040783
2-[5-[(2-ethylphenoxy)methyl]tetrazol-2-yl]ethanamine
CID 116820081
2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine
CID 116642246
1-methyl-4-[[1-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]triazol-4-yl]methoxy]quinolin-2-one
CID 57340831

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[7-[[1-(2-aminoethyl)triazol-4-yl]methoxy]-4-ethyl-5-methyl-6H-phenanthridin-8-yl]oxymethyl]triazol-1-yl]ethanamine?
The IUPAC name of 2-[4-[[7-[[1-(2-aminoethyl)triazol-4-yl]methoxy]-4-ethyl-5-methyl-6H-phenanthridin-8-yl]oxymethyl]triazol-1-yl]ethanamine (CID 132934378) is 2-[4-[[7-[[1-(2-aminoethyl)triazol-4-yl]methoxy]-4-ethyl-5-methyl-6H-phenanthridin-8-yl]oxymethyl]triazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[[7-[[1-(2-aminoethyl)triazol-4-yl]methoxy]-4-ethyl-5-methyl-6H-phenanthridin-8-yl]oxymethyl]triazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-[[7-[[1-(2-aminoethyl)triazol-4-yl]methoxy]-4-ethyl-5-methyl-6H-phenanthridin-8-yl]oxymethyl]triazol-1-yl]ethanamine is CCc1cccc2c1N(C)Cc1c-2ccc(OCc2cn(CCN)nn2)c1OCc1cn(CCN)nn1.
What is the InChIKey of 2-[4-[[7-[[1-(2-aminoethyl)triazol-4-yl]methoxy]-4-ethyl-5-methyl-6H-phenanthridin-8-yl]oxymethyl]triazol-1-yl]ethanamine?
The InChIKey is WWFTVTMCBZLXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N9O2/c1-3-18-5-4-6-22-21-7-8-24(36-16-19-13-34(11-9-27)31-29-19)26(23(21)15-33(2)25(18)22)37-17-20-14-35(12-10-28)32-30-20/h4-8,13-14H,3,9-12,15-17,27-28H2,1-2H3.
What are the key properties of 2-[4-[[7-[[1-(2-aminoethyl)triazol-4-yl]methoxy]-4-ethyl-5-methyl-6H-phenanthridin-8-yl]oxymethyl]triazol-1-yl]ethanamine?
2-[4-[[7-[[1-(2-aminoethyl)triazol-4-yl]methoxy]-4-ethyl-5-methyl-6H-phenanthridin-8-yl]oxymethyl]triazol-1-yl]ethanamine has a molecular weight of 503.61 g/mol, XLogP of 2.12, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[7-[[1-(2-aminoethyl)triazol-4-yl]methoxy]-4-ethyl-5-methyl-6H-phenanthridin-8-yl]oxymethyl]triazol-1-yl]ethanamine is sourced from PubChem (CID 132934378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).