4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene

C11H15N3 — CID 175767396

IUPAC4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene
SMILESC1=Cc2c3c(nn2CCC1)CCNC3
InChIInChI=1S/C11H15N3/c1-2-4-11-9-8-12-6-5-10(9)13-14(11)7-3-1/h2,4,12H,1,3,5-8H2
InChIKeyNDSQXJCXRLARKI-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.34
Rot. Bonds

About 4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene

4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene (PubChem CID 175767396) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene.

Molecular Properties

Compound Name4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene
PubChem CID175767396
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene
SMILESC1=Cc2c3c(nn2CCC1)CCNC3
InChIInChI=1S/C11H15N3/c1-2-4-11-9-8-12-6-5-10(9)13-14(11)7-3-1/h2,4,12H,1,3,5-8H2
InChIKeyNDSQXJCXRLARKI-UHFFFAOYSA-N
XLogP1.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

14-fluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene
CID 155352887
5-methyl-3,5,10,11,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2(6),3,11-tetraene
CID 155350244
13-ethylidene-14-methanidylidene-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene;yttrium
CID 167683847
14,14-difluoro-12-(fluoromethyl)-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene
CID 155352784
2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 105448944
14-thia-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-ol
CID 155358635
13-methyl-11-methylidene-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
CID 146625494
13-methyl-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
CID 155366696
14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-12-ol
CID 175201591
4,8,9-triazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene
CID 55264669
(2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine
CID 105439071
1,1-difluoro-2-methoxyethane;14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene
CID 155727961

Frequently Asked Questions

What is the IUPAC name of 4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene?
The IUPAC name of 4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene (CID 175767396) is 4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene.
What is the SMILES notation for 4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene?
The canonical SMILES for 4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene is C1=Cc2c3c(nn2CCC1)CCNC3.
What is the InChIKey of 4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene?
The InChIKey is NDSQXJCXRLARKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-4-11-9-8-12-6-5-10(9)13-14(11)7-3-1/h2,4,12H,1,3,5-8H2.
What are the key properties of 4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene?
4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene has a molecular weight of 189.26 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene is sourced from PubChem (CID 175767396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).