5-methoxy-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-6-amine

C15H16N4O — CID 14468468

IUPAC5-methoxy-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-6-amine
SMILESCOc1ccc2c(ncc3c4c([nH]c32)CCNC4)c1N
InChIInChI=1S/C15H16N4O/c1-20-12-3-2-8-14-10(7-18-15(8)13(12)16)9-6-17-5-4-11(9)19-14/h2-3,7,17,19H,4-6,16H2,1H3
InChIKeyUHVNIUQDUABGDC-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.95
Rot. Bonds1

About 5-methoxy-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-6-amine

5-methoxy-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-6-amine (PubChem CID 14468468) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-methoxy-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-6-amine.

Molecular Properties

Compound Name5-methoxy-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-6-amine
PubChem CID14468468
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-methoxy-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-6-amine
SMILESCOc1ccc2c(ncc3c4c([nH]c32)CCNC4)c1N
InChIInChI=1S/C15H16N4O/c1-20-12-3-2-8-14-10(7-18-15(8)13(12)16)9-6-17-5-4-11(9)19-14/h2-3,7,17,19H,4-6,16H2,1H3
InChIKeyUHVNIUQDUABGDC-UHFFFAOYSA-N
XLogP1.95
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-6-amine?
The IUPAC name of 5-methoxy-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-6-amine (CID 14468468) is 5-methoxy-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-6-amine.
What is the SMILES notation for 5-methoxy-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-6-amine?
The canonical SMILES for 5-methoxy-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-6-amine is COc1ccc2c(ncc3c4c([nH]c32)CCNC4)c1N.
What is the InChIKey of 5-methoxy-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-6-amine?
The InChIKey is UHVNIUQDUABGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-20-12-3-2-8-14-10(7-18-15(8)13(12)16)9-6-17-5-4-11(9)19-14/h2-3,7,17,19H,4-6,16H2,1H3.
What are the key properties of 5-methoxy-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-6-amine?
5-methoxy-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-6-amine has a molecular weight of 268.32 g/mol, XLogP of 1.95, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-6-amine is sourced from PubChem (CID 14468468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).