2-methyl-6-(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-yl)oxane-3,5-diol

C19H23N3O3 — CID 170211419

IUPAC2-methyl-6-(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-yl)oxane-3,5-diol
SMILESCC1OC(N2CC3CC(C2)c2cc4nccnc4cc23)C(O)CC1O
InChIInChI=1S/C19H23N3O3/c1-10-17(23)7-18(24)19(25-10)22-8-11-4-12(9-22)14-6-16-15(5-13(11)14)20-2-3-21-16/h2-3,5-6,10-12,17-19,23-24H,4,7-9H2,1H3
InChIKeyFPRDSBMHEIWKEA-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.37
Rot. Bonds1

About 2-methyl-6-(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-yl)oxane-3,5-diol

2-methyl-6-(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-yl)oxane-3,5-diol (PubChem CID 170211419) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-methyl-6-(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-yl)oxane-3,5-diol.

Molecular Properties

Compound Name2-methyl-6-(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-yl)oxane-3,5-diol
PubChem CID170211419
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-methyl-6-(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-yl)oxane-3,5-diol
SMILESCC1OC(N2CC3CC(C2)c2cc4nccnc4cc23)C(O)CC1O
InChIInChI=1S/C19H23N3O3/c1-10-17(23)7-18(24)19(25-10)22-8-11-4-12(9-22)14-6-16-15(5-13(11)14)20-2-3-21-16/h2-3,5-6,10-12,17-19,23-24H,4,7-9H2,1H3
InChIKeyFPRDSBMHEIWKEA-UHFFFAOYSA-N
XLogP1.37
TPSA78.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-6-(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-yl)oxane-3,5-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-yl)oxane-3,5-diol?
The IUPAC name of 2-methyl-6-(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-yl)oxane-3,5-diol (CID 170211419) is 2-methyl-6-(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-yl)oxane-3,5-diol.
What is the SMILES notation for 2-methyl-6-(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-yl)oxane-3,5-diol?
The canonical SMILES for 2-methyl-6-(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-yl)oxane-3,5-diol is CC1OC(N2CC3CC(C2)c2cc4nccnc4cc23)C(O)CC1O.
What is the InChIKey of 2-methyl-6-(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-yl)oxane-3,5-diol?
The InChIKey is FPRDSBMHEIWKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-10-17(23)7-18(24)19(25-10)22-8-11-4-12(9-22)14-6-16-15(5-13(11)14)20-2-3-21-16/h2-3,5-6,10-12,17-19,23-24H,4,7-9H2,1H3.
What are the key properties of 2-methyl-6-(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-yl)oxane-3,5-diol?
2-methyl-6-(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-yl)oxane-3,5-diol has a molecular weight of 341.41 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-yl)oxane-3,5-diol is sourced from PubChem (CID 170211419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).