14-propan-2-yl-13-oxa-3,10,14-triazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene

C14H17N3O — CID 16682011

IUPAC14-propan-2-yl-13-oxa-3,10,14-triazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene
SMILESCC(C)N1OC2CC1c1nc3ccccc3n1C2
InChIInChI=1S/C14H17N3O/c1-9(2)17-13-7-10(18-17)8-16-12-6-4-3-5-11(12)15-14(13)16/h3-6,9-10,13H,7-8H2,1-2H3
InChIKeyVVGIXYQMZGPIEN-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.51
Rot. Bonds1

About 14-propan-2-yl-13-oxa-3,10,14-triazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene

14-propan-2-yl-13-oxa-3,10,14-triazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene (PubChem CID 16682011) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 14-propan-2-yl-13-oxa-3,10,14-triazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene.

Molecular Properties

Compound Name14-propan-2-yl-13-oxa-3,10,14-triazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene
PubChem CID16682011
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name14-propan-2-yl-13-oxa-3,10,14-triazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene
SMILESCC(C)N1OC2CC1c1nc3ccccc3n1C2
InChIInChI=1S/C14H17N3O/c1-9(2)17-13-7-10(18-17)8-16-12-6-4-3-5-11(12)15-14(13)16/h3-6,9-10,13H,7-8H2,1-2H3
InChIKeyVVGIXYQMZGPIEN-UHFFFAOYSA-N
XLogP2.51
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 14-propan-2-yl-13-oxa-3,10,14-triazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene?
The IUPAC name of 14-propan-2-yl-13-oxa-3,10,14-triazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene (CID 16682011) is 14-propan-2-yl-13-oxa-3,10,14-triazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene.
What is the SMILES notation for 14-propan-2-yl-13-oxa-3,10,14-triazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene?
The canonical SMILES for 14-propan-2-yl-13-oxa-3,10,14-triazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene is CC(C)N1OC2CC1c1nc3ccccc3n1C2.
What is the InChIKey of 14-propan-2-yl-13-oxa-3,10,14-triazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene?
The InChIKey is VVGIXYQMZGPIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9(2)17-13-7-10(18-17)8-16-12-6-4-3-5-11(12)15-14(13)16/h3-6,9-10,13H,7-8H2,1-2H3.
What are the key properties of 14-propan-2-yl-13-oxa-3,10,14-triazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene?
14-propan-2-yl-13-oxa-3,10,14-triazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene has a molecular weight of 243.31 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-propan-2-yl-13-oxa-3,10,14-triazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene is sourced from PubChem (CID 16682011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).