9-(ethoxymethyl)-10-(2-methylpropyl)-2,3,4,5,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),8,13,15-heptaen-14-ol

C17H20N6O2 — CID 67227871

IUPAC9-(ethoxymethyl)-10-(2-methylpropyl)-2,3,4,5,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),8,13,15-heptaen-14-ol
SMILESCCOCc1nc2c(c3cc(O)ccc3n3nnnc23)n1CC(C)C
InChIInChI=1S/C17H20N6O2/c1-4-25-9-14-18-15-16(22(14)8-10(2)3)12-7-11(24)5-6-13(12)23-17(15)19-20-21-23/h5-7,10,24H,4,8-9H2,1-3H3
InChIKeyLDACVEXEMQNTSF-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.53
Rot. Bonds5

About 9-(ethoxymethyl)-10-(2-methylpropyl)-2,3,4,5,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),8,13,15-heptaen-14-ol

9-(ethoxymethyl)-10-(2-methylpropyl)-2,3,4,5,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),8,13,15-heptaen-14-ol (PubChem CID 67227871) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 9-(ethoxymethyl)-10-(2-methylpropyl)-2,3,4,5,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),8,13,15-heptaen-14-ol.

Molecular Properties

Compound Name9-(ethoxymethyl)-10-(2-methylpropyl)-2,3,4,5,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),8,13,15-heptaen-14-ol
PubChem CID67227871
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name9-(ethoxymethyl)-10-(2-methylpropyl)-2,3,4,5,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),8,13,15-heptaen-14-ol
SMILESCCOCc1nc2c(c3cc(O)ccc3n3nnnc23)n1CC(C)C
InChIInChI=1S/C17H20N6O2/c1-4-25-9-14-18-15-16(22(14)8-10(2)3)12-7-11(24)5-6-13(12)23-17(15)19-20-21-23/h5-7,10,24H,4,8-9H2,1-3H3
InChIKeyLDACVEXEMQNTSF-UHFFFAOYSA-N
XLogP2.53
TPSA90.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 9-(ethoxymethyl)-10-(2-methylpropyl)-2,3,4,5,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),8,13,15-heptaen-14-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(ethoxymethyl)-10-(2-methylpropyl)-2,3,4,5,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),8,13,15-heptaen-14-ol?
The IUPAC name of 9-(ethoxymethyl)-10-(2-methylpropyl)-2,3,4,5,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),8,13,15-heptaen-14-ol (CID 67227871) is 9-(ethoxymethyl)-10-(2-methylpropyl)-2,3,4,5,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),8,13,15-heptaen-14-ol.
What is the SMILES notation for 9-(ethoxymethyl)-10-(2-methylpropyl)-2,3,4,5,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),8,13,15-heptaen-14-ol?
The canonical SMILES for 9-(ethoxymethyl)-10-(2-methylpropyl)-2,3,4,5,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),8,13,15-heptaen-14-ol is CCOCc1nc2c(c3cc(O)ccc3n3nnnc23)n1CC(C)C.
What is the InChIKey of 9-(ethoxymethyl)-10-(2-methylpropyl)-2,3,4,5,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),8,13,15-heptaen-14-ol?
The InChIKey is LDACVEXEMQNTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-4-25-9-14-18-15-16(22(14)8-10(2)3)12-7-11(24)5-6-13(12)23-17(15)19-20-21-23/h5-7,10,24H,4,8-9H2,1-3H3.
What are the key properties of 9-(ethoxymethyl)-10-(2-methylpropyl)-2,3,4,5,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),8,13,15-heptaen-14-ol?
9-(ethoxymethyl)-10-(2-methylpropyl)-2,3,4,5,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),8,13,15-heptaen-14-ol has a molecular weight of 340.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(ethoxymethyl)-10-(2-methylpropyl)-2,3,4,5,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),8,13,15-heptaen-14-ol is sourced from PubChem (CID 67227871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).