2-[[6-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]-2-pyridinyl]oxy]ethanol

C18H17N5O2 — CID 118262436

IUPAC2-[[6-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]-2-pyridinyl]oxy]ethanol
SMILESCn1c2ccncc2c2ccc(Nc3cccc(OCCO)n3)nc21
InChIInChI=1S/C18H17N5O2/c1-23-14-7-8-19-11-13(14)12-5-6-16(22-18(12)23)20-15-3-2-4-17(21-15)25-10-9-24/h2-8,11,24H,9-10H2,1H3,(H,20,21,22)
InChIKeyXCLBVSHATJSYDD-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.63
Rot. Bonds5

About 2-[[6-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]-2-pyridinyl]oxy]ethanol

2-[[6-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]-2-pyridinyl]oxy]ethanol (PubChem CID 118262436) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-[[6-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[6-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]-2-pyridinyl]oxy]ethanol
PubChem CID118262436
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2-[[6-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]-2-pyridinyl]oxy]ethanol
SMILESCn1c2ccncc2c2ccc(Nc3cccc(OCCO)n3)nc21
InChIInChI=1S/C18H17N5O2/c1-23-14-7-8-19-11-13(14)12-5-6-16(22-18(12)23)20-15-3-2-4-17(21-15)25-10-9-24/h2-8,11,24H,9-10H2,1H3,(H,20,21,22)
InChIKeyXCLBVSHATJSYDD-UHFFFAOYSA-N
XLogP2.63
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[6-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]-2-pyridinyl]oxy]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]-2-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[6-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]-2-pyridinyl]oxy]ethanol (CID 118262436) is 2-[[6-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[6-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[6-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]-2-pyridinyl]oxy]ethanol is Cn1c2ccncc2c2ccc(Nc3cccc(OCCO)n3)nc21.
What is the InChIKey of 2-[[6-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]-2-pyridinyl]oxy]ethanol?
The InChIKey is XCLBVSHATJSYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-23-14-7-8-19-11-13(14)12-5-6-16(22-18(12)23)20-15-3-2-4-17(21-15)25-10-9-24/h2-8,11,24H,9-10H2,1H3,(H,20,21,22).
What are the key properties of 2-[[6-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]-2-pyridinyl]oxy]ethanol?
2-[[6-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]-2-pyridinyl]oxy]ethanol has a molecular weight of 335.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 118262436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).