2-(1,8,10-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-ylamino)ethanol

C15H16N4O — CID 43816842

IUPAC2-(1,8,10-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-ylamino)ethanol
SMILESOCCNc1c2c(nc3nc4ccccc4n13)CCC2
InChIInChI=1S/C15H16N4O/c20-9-8-16-14-10-4-3-6-11(10)17-15-18-12-5-1-2-7-13(12)19(14)15/h1-2,5,7,16,20H,3-4,6,8-9H2
InChIKeyZUHNLISIFXNBOR-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.78
Rot. Bonds3

About 2-(1,8,10-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-ylamino)ethanol

2-(1,8,10-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-ylamino)ethanol (PubChem CID 43816842) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(1,8,10-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-ylamino)ethanol.

Molecular Properties

Compound Name2-(1,8,10-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-ylamino)ethanol
PubChem CID43816842
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-(1,8,10-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-ylamino)ethanol
SMILESOCCNc1c2c(nc3nc4ccccc4n13)CCC2
InChIInChI=1S/C15H16N4O/c20-9-8-16-14-10-4-3-6-11(10)17-15-18-12-5-1-2-7-13(12)19(14)15/h1-2,5,7,16,20H,3-4,6,8-9H2
InChIKeyZUHNLISIFXNBOR-UHFFFAOYSA-N
XLogP1.78
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,8,10-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-ylamino)ethanol?
The IUPAC name of 2-(1,8,10-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-ylamino)ethanol (CID 43816842) is 2-(1,8,10-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-ylamino)ethanol.
What is the SMILES notation for 2-(1,8,10-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-ylamino)ethanol?
The canonical SMILES for 2-(1,8,10-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-ylamino)ethanol is OCCNc1c2c(nc3nc4ccccc4n13)CCC2.
What is the InChIKey of 2-(1,8,10-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-ylamino)ethanol?
The InChIKey is ZUHNLISIFXNBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c20-9-8-16-14-10-4-3-6-11(10)17-15-18-12-5-1-2-7-13(12)19(14)15/h1-2,5,7,16,20H,3-4,6,8-9H2.
What are the key properties of 2-(1,8,10-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-ylamino)ethanol?
2-(1,8,10-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-ylamino)ethanol has a molecular weight of 268.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,8,10-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaen-16-ylamino)ethanol is sourced from PubChem (CID 43816842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).