(1R)-1-[(16R)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]ethanol

C15H16N4O2 — CID 58406179

IUPAC(1R)-1-[(16R)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]ethanol
SMILESC[C@@H](O)[C@H]1COCc2nc3c(N)nc4ccccc4c3n21
InChIInChI=1S/C15H16N4O2/c1-8(20)11-6-21-7-12-18-13-14(19(11)12)9-4-2-3-5-10(9)17-15(13)16/h2-5,8,11,20H,6-7H2,1H3,(H2,16,17)/t8-,11-/m1/s1
InChIKeyMEZXDJIMLDPIAP-LDYMZIIASA-N
MW284.32 g/mol
LogP1.62
Rot. Bonds1

About (1R)-1-[(16R)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]ethanol

(1R)-1-[(16R)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]ethanol (PubChem CID 58406179) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is (1R)-1-[(16R)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(16R)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]ethanol
PubChem CID58406179
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name(1R)-1-[(16R)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]ethanol
SMILESC[C@@H](O)[C@H]1COCc2nc3c(N)nc4ccccc4c3n21
InChIInChI=1S/C15H16N4O2/c1-8(20)11-6-21-7-12-18-13-14(19(11)12)9-4-2-3-5-10(9)17-15(13)16/h2-5,8,11,20H,6-7H2,1H3,(H2,16,17)/t8-,11-/m1/s1
InChIKeyMEZXDJIMLDPIAP-LDYMZIIASA-N
XLogP1.62
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R)-1-[(16R)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(16R)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]ethanol?
The IUPAC name of (1R)-1-[(16R)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]ethanol (CID 58406179) is (1R)-1-[(16R)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]ethanol.
What is the SMILES notation for (1R)-1-[(16R)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]ethanol?
The canonical SMILES for (1R)-1-[(16R)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]ethanol is C[C@@H](O)[C@H]1COCc2nc3c(N)nc4ccccc4c3n21.
What is the InChIKey of (1R)-1-[(16R)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]ethanol?
The InChIKey is MEZXDJIMLDPIAP-LDYMZIIASA-N. The full InChI is InChI=1S/C15H16N4O2/c1-8(20)11-6-21-7-12-18-13-14(19(11)12)9-4-2-3-5-10(9)17-15(13)16/h2-5,8,11,20H,6-7H2,1H3,(H2,16,17)/t8-,11-/m1/s1.
What are the key properties of (1R)-1-[(16R)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]ethanol?
(1R)-1-[(16R)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]ethanol has a molecular weight of 284.32 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(16R)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]ethanol is sourced from PubChem (CID 58406179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).