9-methyl-13-propan-2-yl-2-oxa-9,11,15,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10,12,14-tetraene

C16H22N4O — CID 155745858

IUPAC9-methyl-13-propan-2-yl-2-oxa-9,11,15,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10,12,14-tetraene
SMILESCC(C)c1cnn2cc3c(nc12)N(C)C1CCCCC1O3
InChIInChI=1S/C16H22N4O/c1-10(2)11-8-17-20-9-14-16(18-15(11)20)19(3)12-6-4-5-7-13(12)21-14/h8-10,12-13H,4-7H2,1-3H3
InChIKeyGHIAVSHTRUMTQY-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.99
Rot. Bonds1

About 9-methyl-13-propan-2-yl-2-oxa-9,11,15,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10,12,14-tetraene

9-methyl-13-propan-2-yl-2-oxa-9,11,15,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10,12,14-tetraene (PubChem CID 155745858) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 9-methyl-13-propan-2-yl-2-oxa-9,11,15,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10,12,14-tetraene.

Molecular Properties

Compound Name9-methyl-13-propan-2-yl-2-oxa-9,11,15,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10,12,14-tetraene
PubChem CID155745858
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name9-methyl-13-propan-2-yl-2-oxa-9,11,15,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10,12,14-tetraene
SMILESCC(C)c1cnn2cc3c(nc12)N(C)C1CCCCC1O3
InChIInChI=1S/C16H22N4O/c1-10(2)11-8-17-20-9-14-16(18-15(11)20)19(3)12-6-4-5-7-13(12)21-14/h8-10,12-13H,4-7H2,1-3H3
InChIKeyGHIAVSHTRUMTQY-UHFFFAOYSA-N
XLogP2.99
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-13-propan-2-yl-2-oxa-9,11,15,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10,12,14-tetraene?
The IUPAC name of 9-methyl-13-propan-2-yl-2-oxa-9,11,15,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10,12,14-tetraene (CID 155745858) is 9-methyl-13-propan-2-yl-2-oxa-9,11,15,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10,12,14-tetraene.
What is the SMILES notation for 9-methyl-13-propan-2-yl-2-oxa-9,11,15,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10,12,14-tetraene?
The canonical SMILES for 9-methyl-13-propan-2-yl-2-oxa-9,11,15,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10,12,14-tetraene is CC(C)c1cnn2cc3c(nc12)N(C)C1CCCCC1O3.
What is the InChIKey of 9-methyl-13-propan-2-yl-2-oxa-9,11,15,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10,12,14-tetraene?
The InChIKey is GHIAVSHTRUMTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10(2)11-8-17-20-9-14-16(18-15(11)20)19(3)12-6-4-5-7-13(12)21-14/h8-10,12-13H,4-7H2,1-3H3.
What are the key properties of 9-methyl-13-propan-2-yl-2-oxa-9,11,15,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10,12,14-tetraene?
9-methyl-13-propan-2-yl-2-oxa-9,11,15,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10,12,14-tetraene has a molecular weight of 286.38 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-13-propan-2-yl-2-oxa-9,11,15,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10,12,14-tetraene is sourced from PubChem (CID 155745858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).