3,7,9-triazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene

C11H11N3 — CID 115403477

IUPAC3,7,9-triazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene
SMILESc1cnc2nc3c(n2c1)C1CCC3C1
InChIInChI=1S/C11H11N3/c1-4-12-11-13-9-7-2-3-8(6-7)10(9)14(11)5-1/h1,4-5,7-8H,2-3,6H2
InChIKeyCIIFCTUEHZQSNA-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.09
Rot. Bonds

About 3,7,9-triazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene

3,7,9-triazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene (PubChem CID 115403477) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3,7,9-triazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene.

Molecular Properties

Compound Name3,7,9-triazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene
PubChem CID115403477
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name3,7,9-triazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene
SMILESc1cnc2nc3c(n2c1)C1CCC3C1
InChIInChI=1S/C11H11N3/c1-4-12-11-13-9-7-2-3-8(6-7)10(9)14(11)5-1/h1,4-5,7-8H,2-3,6H2
InChIKeyCIIFCTUEHZQSNA-UHFFFAOYSA-N
XLogP2.09
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(Trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole
CID 115403503
5-Fluoro-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene
CID 115404544
7-Cyclobutylimidazo[1,2-a]pyrimidine
CID 18001271
7-Isopropylimidazo[1,2-a]pyrimidine
CID 18001276
7-Cyclopropylimidazo[1,2-a]pyrimidine
CID 18001305
1,8,10-Triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 22224463
5-Propan-2-ylimidazo[1,2-a]pyrimidine
CID 58514419
3,5-Dimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 58824542
3-Butan-2-yl-2-methylimidazo[1,2-a]pyrimidine
CID 89372665
2-Cyclopropyl-3-methylimidazo[1,2-a]pyrimidine
CID 89404545
7-(2-Methylpropyl)imidazo[1,2-a]pyrimidine
CID 134211923
2-Tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-a]pyrimidine
CID 141336132

Frequently Asked Questions

What is the IUPAC name of 3,7,9-triazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene?
The IUPAC name of 3,7,9-triazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene (CID 115403477) is 3,7,9-triazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene.
What is the SMILES notation for 3,7,9-triazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene?
The canonical SMILES for 3,7,9-triazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene is c1cnc2nc3c(n2c1)C1CCC3C1.
What is the InChIKey of 3,7,9-triazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene?
The InChIKey is CIIFCTUEHZQSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-4-12-11-13-9-7-2-3-8(6-7)10(9)14(11)5-1/h1,4-5,7-8H,2-3,6H2.
What are the key properties of 3,7,9-triazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene?
3,7,9-triazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene has a molecular weight of 185.23 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,9-triazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene is sourced from PubChem (CID 115403477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).