3,6,10-trimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene

C15H21N5O2 — CID 178105946

IUPAC3,6,10-trimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
SMILESCc1nc2c3c(nn(C)c3n1)OCC(C)N2C1COC(C)C1
InChIInChI=1S/C15H21N5O2/c1-8-6-22-15-12-13(19(4)18-15)16-10(3)17-14(12)20(8)11-5-9(2)21-7-11/h8-9,11H,5-7H2,1-4H3
InChIKeySYTFBEOIRGSMOA-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.44
Rot. Bonds1

About 3,6,10-trimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene

3,6,10-trimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene (PubChem CID 178105946) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3,6,10-trimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene.

Molecular Properties

Compound Name3,6,10-trimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
PubChem CID178105946
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name3,6,10-trimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
SMILESCc1nc2c3c(nn(C)c3n1)OCC(C)N2C1COC(C)C1
InChIInChI=1S/C15H21N5O2/c1-8-6-22-15-12-13(19(4)18-15)16-10(3)17-14(12)20(8)11-5-9(2)21-7-11/h8-9,11H,5-7H2,1-4H3
InChIKeySYTFBEOIRGSMOA-UHFFFAOYSA-N
XLogP1.44
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,6,10-trimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6,10-trimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene?
The IUPAC name of 3,6,10-trimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene (CID 178105946) is 3,6,10-trimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene.
What is the SMILES notation for 3,6,10-trimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene?
The canonical SMILES for 3,6,10-trimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene is Cc1nc2c3c(nn(C)c3n1)OCC(C)N2C1COC(C)C1.
What is the InChIKey of 3,6,10-trimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene?
The InChIKey is SYTFBEOIRGSMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-8-6-22-15-12-13(19(4)18-15)16-10(3)17-14(12)20(8)11-5-9(2)21-7-11/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 3,6,10-trimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene?
3,6,10-trimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene has a molecular weight of 303.37 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,10-trimethyl-9-(5-methyloxolan-3-yl)-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene is sourced from PubChem (CID 178105946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).