11-tert-butyl-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

C13H17N3 — CID 59229700

IUPAC11-tert-butyl-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCC(C)(C)c1cn2c3c(cnc2n1)CCC3
InChIInChI=1S/C13H17N3/c1-13(2,3)11-8-16-10-6-4-5-9(10)7-14-12(16)15-11/h7-8H,4-6H2,1-3H3
InChIKeyLTOAUNSGMVVUIC-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.52
Rot. Bonds

About 11-tert-butyl-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

11-tert-butyl-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 59229700) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 11-tert-butyl-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name11-tert-butyl-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID59229700
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name11-tert-butyl-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCC(C)(C)c1cn2c3c(cnc2n1)CCC3
InChIInChI=1S/C13H17N3/c1-13(2,3)11-8-16-10-6-4-5-9(10)7-14-12(16)15-11/h7-8H,4-6H2,1-3H3
InChIKeyLTOAUNSGMVVUIC-UHFFFAOYSA-N
XLogP2.52
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-tert-butyl-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene with MolForge

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Related Compounds

2-Tert-butyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183040
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CID 122183042
2,4-Dimethyl-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97515567
5-(1-Methylpyrrolidin-2-yl)imidazo[1,2-a]pyrimidine
CID 118739847
1-ethyl-3-(4-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)thiourea
CID 134134317
5,7-Di(propan-2-yl)imidazo[1,2-a]pyrimidine
CID 168339361
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 45275257
7-Tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 57813875
7-(1-Fluoro-1-methylethyl)imidazo[1,2-alpha]pyrimidine
CID 69559641
7-(1-Fluoro-1-methylethyl)-3-tributylstannylimidazo[1,2-alpha]pyrimidine
CID 69560153
3-Bromo-7-(1-fluoro-1-methylethyl)imidazo[1,2-alpha]pyrimidine
CID 69560554
2-Cyclopropyl-3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 71251287

Frequently Asked Questions

What is the IUPAC name of 11-tert-butyl-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of 11-tert-butyl-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 59229700) is 11-tert-butyl-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for 11-tert-butyl-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for 11-tert-butyl-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is CC(C)(C)c1cn2c3c(cnc2n1)CCC3.
What is the InChIKey of 11-tert-butyl-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is LTOAUNSGMVVUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-13(2,3)11-8-16-10-6-4-5-9(10)7-14-12(16)15-11/h7-8H,4-6H2,1-3H3.
What are the key properties of 11-tert-butyl-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
11-tert-butyl-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 215.30 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-tert-butyl-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 59229700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).