2,9,13-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-triene

C11H15N3 — CID 130597442

IUPAC2,9,13-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-triene
SMILESc1cc2c(cn1)NC1CCCC1CN2
InChIInChI=1S/C11H15N3/c1-2-8-6-13-10-4-5-12-7-11(10)14-9(8)3-1/h4-5,7-9,13-14H,1-3,6H2
InChIKeyMTWIDOKPMNXRAB-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.09
Rot. Bonds

About 2,9,13-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-triene

2,9,13-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-triene (PubChem CID 130597442) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,9,13-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-triene.

Molecular Properties

Compound Name2,9,13-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-triene
PubChem CID130597442
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2,9,13-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-triene
SMILESc1cc2c(cn1)NC1CCCC1CN2
InChIInChI=1S/C11H15N3/c1-2-8-6-13-10-4-5-12-7-11(10)14-9(8)3-1/h4-5,7-9,13-14H,1-3,6H2
InChIKeyMTWIDOKPMNXRAB-UHFFFAOYSA-N
XLogP2.09
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3034715
4-cyclohexyl-1,4-dihydropyrido[4,3-d]pyrimidine
CID 10176756
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CID 136747365
2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine
CID 115289491
4,13-diazatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene
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CID 101446584

Frequently Asked Questions

What is the IUPAC name of 2,9,13-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-triene?
The IUPAC name of 2,9,13-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-triene (CID 130597442) is 2,9,13-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-triene.
What is the SMILES notation for 2,9,13-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-triene?
The canonical SMILES for 2,9,13-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-triene is c1cc2c(cn1)NC1CCCC1CN2.
What is the InChIKey of 2,9,13-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-triene?
The InChIKey is MTWIDOKPMNXRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-8-6-13-10-4-5-12-7-11(10)14-9(8)3-1/h4-5,7-9,13-14H,1-3,6H2.
What are the key properties of 2,9,13-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-triene?
2,9,13-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-triene has a molecular weight of 189.26 g/mol, XLogP of 2.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,13-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-triene is sourced from PubChem (CID 130597442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).