11-tert-butyl-7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

C14H19N3 — CID 91406043

IUPAC11-tert-butyl-7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCc1nc2cc(C(C)(C)C)nn2c2c1CCC2
InChIInChI=1S/C14H19N3/c1-9-10-6-5-7-11(10)17-13(15-9)8-12(16-17)14(2,3)4/h8H,5-7H2,1-4H3
InChIKeyHGCBTNQTWBZOPW-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.82
Rot. Bonds

About 11-tert-butyl-7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

11-tert-butyl-7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 91406043) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 11-tert-butyl-7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name11-tert-butyl-7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID91406043
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name11-tert-butyl-7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCc1nc2cc(C(C)(C)C)nn2c2c1CCC2
InChIInChI=1S/C14H19N3/c1-9-10-6-5-7-11(10)17-13(15-9)8-12(16-17)14(2,3)4/h8H,5-7H2,1-4H3
InChIKeyHGCBTNQTWBZOPW-UHFFFAOYSA-N
XLogP2.82
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-tert-butyl-7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of 11-tert-butyl-7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 91406043) is 11-tert-butyl-7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for 11-tert-butyl-7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for 11-tert-butyl-7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is Cc1nc2cc(C(C)(C)C)nn2c2c1CCC2.
What is the InChIKey of 11-tert-butyl-7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is HGCBTNQTWBZOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-9-10-6-5-7-11(10)17-13(15-9)8-12(16-17)14(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of 11-tert-butyl-7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
11-tert-butyl-7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 229.33 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-tert-butyl-7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 91406043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).