N-tert-butyl-2-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)acetamide

C15H22N4O — CID 121183373

IUPACN-tert-butyl-2-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)acetamide
SMILESCC(C)(C)NC(=O)CN1C2CCC1c1cncnc1C2
InChIInChI=1S/C15H22N4O/c1-15(2,3)18-14(20)8-19-10-4-5-13(19)11-7-16-9-17-12(11)6-10/h7,9-10,13H,4-6,8H2,1-3H3,(H,18,20)
InChIKeyYTZQHWUCNYIVNK-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.45
Rot. Bonds2

About N-tert-butyl-2-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)acetamide

N-tert-butyl-2-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)acetamide (PubChem CID 121183373) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-tert-butyl-2-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)acetamide
PubChem CID121183373
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-tert-butyl-2-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)acetamide
SMILESCC(C)(C)NC(=O)CN1C2CCC1c1cncnc1C2
InChIInChI=1S/C15H22N4O/c1-15(2,3)18-14(20)8-19-10-4-5-13(19)11-7-16-9-17-12(11)6-10/h7,9-10,13H,4-6,8H2,1-3H3,(H,18,20)
InChIKeyYTZQHWUCNYIVNK-UHFFFAOYSA-N
XLogP1.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)acetamide (CID 121183373) is N-tert-butyl-2-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)acetamide is CC(C)(C)NC(=O)CN1C2CCC1c1cncnc1C2.
What is the InChIKey of N-tert-butyl-2-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)acetamide?
The InChIKey is YTZQHWUCNYIVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-15(2,3)18-14(20)8-19-10-4-5-13(19)11-7-16-9-17-12(11)6-10/h7,9-10,13H,4-6,8H2,1-3H3,(H,18,20).
What are the key properties of N-tert-butyl-2-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)acetamide?
N-tert-butyl-2-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)acetamide has a molecular weight of 274.37 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)acetamide is sourced from PubChem (CID 121183373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).