3,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene

C11H11N3 — CID 16752034

IUPAC3,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene
SMILESc1cnc2c(c1)NCc1cccn1C2
InChIInChI=1S/C11H11N3/c1-4-10-11(12-5-1)8-14-6-2-3-9(14)7-13-10/h1-6,13H,7-8H2
InChIKeyBOFNVUKOTICTHW-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.86
Rot. Bonds

About 3,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene

3,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene (PubChem CID 16752034) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene.

Molecular Properties

Compound Name3,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene
PubChem CID16752034
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name3,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene
SMILESc1cnc2c(c1)NCc1cccn1C2
InChIInChI=1S/C11H11N3/c1-4-10-11(12-5-1)8-14-6-2-3-9(14)7-13-10/h1-6,13H,7-8H2
InChIKeyBOFNVUKOTICTHW-UHFFFAOYSA-N
XLogP1.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 13160532
1,2,3,4-tetrahydro-1,5-naphthyridine
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2,4,7,10-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,10,12-tetraene
CID 134158929
1,2,3,4-tetrahydro-1,5-naphthyridine-3-carbaldehyde
CID 158019694
1,4-dihydro-1,5-naphthyridine-2,3-dione
CID 58564731
5,6-dihydropyrrolo[1,2-h][1,7]naphthyridine
CID 91543244
4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepine
CID 143402060
2-propan-2-yl-1,2,3,4-tetrahydro-1,5-naphthyridine
CID 163258093
6-iodo-5,7-dihydropyrrolo[3,4-b]pyridine
CID 130470480
2-methylidene-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazine
CID 142484716
(2-oxo-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-4-yl) benzoate
CID 123693373

Frequently Asked Questions

What is the IUPAC name of 3,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene?
The IUPAC name of 3,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene (CID 16752034) is 3,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene.
What is the SMILES notation for 3,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene?
The canonical SMILES for 3,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene is c1cnc2c(c1)NCc1cccn1C2.
What is the InChIKey of 3,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene?
The InChIKey is BOFNVUKOTICTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-4-10-11(12-5-1)8-14-6-2-3-9(14)7-13-10/h1-6,13H,7-8H2.
What are the key properties of 3,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene?
3,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene has a molecular weight of 185.23 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene is sourced from PubChem (CID 16752034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).