7,10,17-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(17),2,13,15-tetraene

C14H17N3 — CID 141293432

IUPAC7,10,17-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(17),2,13,15-tetraene
SMILESC1=CCC2C(=C1)N=C1C=C3CCCN3CCN12
InChIInChI=1S/C14H17N3/c1-2-6-13-12(5-1)15-14-10-11-4-3-7-16(11)8-9-17(13)14/h1-2,5,10,13H,3-4,6-9H2
InChIKeyJNYJMHWMNRBEAM-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.91
Rot. Bonds

About 7,10,17-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(17),2,13,15-tetraene

7,10,17-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(17),2,13,15-tetraene (PubChem CID 141293432) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 7,10,17-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(17),2,13,15-tetraene.

Molecular Properties

Compound Name7,10,17-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(17),2,13,15-tetraene
PubChem CID141293432
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name7,10,17-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(17),2,13,15-tetraene
SMILESC1=CCC2C(=C1)N=C1C=C3CCCN3CCN12
InChIInChI=1S/C14H17N3/c1-2-6-13-12(5-1)15-14-10-11-4-3-7-16(11)8-9-17(13)14/h1-2,5,10,13H,3-4,6-9H2
InChIKeyJNYJMHWMNRBEAM-UHFFFAOYSA-N
XLogP1.91
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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7-Bromo-1,4a,5,6-tetrahydropyrrolo[1,2-a]benzimidazol-6-ylium
CID 91138896
1,7-Diazatricyclo[6.4.0.02,6]dodeca-2,4,7,9,11-pentaene
CID 118138877
1-(Pyrrolidin-1-ylmethyl)-3a,4-dihydrobenzimidazole
CID 134239379
8,11,18-Triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),2,14,16-tetraene
CID 141293421
(2Z)-7,11,18-triazatetracyclo[9.7.0.03,7.012,17]octadeca-1(18),2,14,16-tetraene
CID 141293424
2,8-Diazatricyclo[7.5.0.02,7]tetradeca-1(14),5,7,9,11-pentaene
CID 143837617
2,3-Dimethyl-3a,4-dihydrobenzimidazole
CID 147769948
2-(pyrrolidin-1-ylmethyl)-5,6-dihydro-1H-benzimidazole
CID 155732243
(4R)-1-cyclohexa-1,3-dien-1-yl-2,3,4-trimethyl-4,5-dihydroimidazol-3-ium
CID 176815505
(4R,5S)-1-cyclohexa-1,3-dien-1-yl-2,3,4,5-tetramethyl-4,5-dihydroimidazol-3-ium
CID 176815517
(11S)-11-propan-2-yl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene
CID 102414329

Frequently Asked Questions

What is the IUPAC name of 7,10,17-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(17),2,13,15-tetraene?
The IUPAC name of 7,10,17-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(17),2,13,15-tetraene (CID 141293432) is 7,10,17-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(17),2,13,15-tetraene.
What is the SMILES notation for 7,10,17-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(17),2,13,15-tetraene?
The canonical SMILES for 7,10,17-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(17),2,13,15-tetraene is C1=CCC2C(=C1)N=C1C=C3CCCN3CCN12.
What is the InChIKey of 7,10,17-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(17),2,13,15-tetraene?
The InChIKey is JNYJMHWMNRBEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-6-13-12(5-1)15-14-10-11-4-3-7-16(11)8-9-17(13)14/h1-2,5,10,13H,3-4,6-9H2.
What are the key properties of 7,10,17-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(17),2,13,15-tetraene?
7,10,17-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(17),2,13,15-tetraene has a molecular weight of 227.31 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10,17-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(17),2,13,15-tetraene is sourced from PubChem (CID 141293432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).