13-[[(2R)-morpholin-2-yl]methoxy]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile

C16H15N5O2 — CID 53250247

IUPAC13-[[(2R)-morpholin-2-yl]methoxy]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile
SMILESN#Cc1cc2c(cn1)[nH]c1nccc(OC[C@H]3CNCCO3)c12
InChIInChI=1S/C16H15N5O2/c17-6-10-5-12-13(8-20-10)21-16-15(12)14(1-2-19-16)23-9-11-7-18-3-4-22-11/h1-2,5,8,11,18H,3-4,7,9H2,(H,19,21)/t11-/m1/s1
InChIKeyFBTMCEYKHSTFPE-LLVKDONJSA-N
MW309.33 g/mol
LogP1.35
Rot. Bonds3

About 13-[[(2R)-morpholin-2-yl]methoxy]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile

13-[[(2R)-morpholin-2-yl]methoxy]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile (PubChem CID 53250247) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 13-[[(2R)-morpholin-2-yl]methoxy]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile.

Molecular Properties

Compound Name13-[[(2R)-morpholin-2-yl]methoxy]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile
PubChem CID53250247
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name13-[[(2R)-morpholin-2-yl]methoxy]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile
SMILESN#Cc1cc2c(cn1)[nH]c1nccc(OC[C@H]3CNCCO3)c12
InChIInChI=1S/C16H15N5O2/c17-6-10-5-12-13(8-20-10)21-16-15(12)14(1-2-19-16)23-9-11-7-18-3-4-22-11/h1-2,5,8,11,18H,3-4,7,9H2,(H,19,21)/t11-/m1/s1
InChIKeyFBTMCEYKHSTFPE-LLVKDONJSA-N
XLogP1.35
TPSA95.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 13-[[(2R)-morpholin-2-yl]methoxy]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-[[(2R)-morpholin-2-yl]methoxy]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile?
The IUPAC name of 13-[[(2R)-morpholin-2-yl]methoxy]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile (CID 53250247) is 13-[[(2R)-morpholin-2-yl]methoxy]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile.
What is the SMILES notation for 13-[[(2R)-morpholin-2-yl]methoxy]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile?
The canonical SMILES for 13-[[(2R)-morpholin-2-yl]methoxy]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile is N#Cc1cc2c(cn1)[nH]c1nccc(OC[C@H]3CNCCO3)c12.
What is the InChIKey of 13-[[(2R)-morpholin-2-yl]methoxy]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile?
The InChIKey is FBTMCEYKHSTFPE-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15N5O2/c17-6-10-5-12-13(8-20-10)21-16-15(12)14(1-2-19-16)23-9-11-7-18-3-4-22-11/h1-2,5,8,11,18H,3-4,7,9H2,(H,19,21)/t11-/m1/s1.
What are the key properties of 13-[[(2R)-morpholin-2-yl]methoxy]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile?
13-[[(2R)-morpholin-2-yl]methoxy]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile has a molecular weight of 309.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[[(2R)-morpholin-2-yl]methoxy]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile is sourced from PubChem (CID 53250247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).