3,3,5,5-tetramethyl-7,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),7,10,12-pentaene

C14H17N3 — CID 155404101

IUPAC3,3,5,5-tetramethyl-7,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),7,10,12-pentaene
SMILESCC1(C)CC(C)(C)c2c1nnc1ccncc21
InChIInChI=1S/C14H17N3/c1-13(2)8-14(3,4)12-11(13)9-7-15-6-5-10(9)16-17-12/h5-7H,8H2,1-4H3
InChIKeyPBDUKUNYZAZHFS-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.98
Rot. Bonds

About 3,3,5,5-tetramethyl-7,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),7,10,12-pentaene

3,3,5,5-tetramethyl-7,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),7,10,12-pentaene (PubChem CID 155404101) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-7,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),7,10,12-pentaene.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-7,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),7,10,12-pentaene
PubChem CID155404101
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3,3,5,5-tetramethyl-7,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),7,10,12-pentaene
SMILESCC1(C)CC(C)(C)c2c1nnc1ccncc21
InChIInChI=1S/C14H17N3/c1-13(2)8-14(3,4)12-11(13)9-7-15-6-5-10(9)16-17-12/h5-7H,8H2,1-4H3
InChIKeyPBDUKUNYZAZHFS-UHFFFAOYSA-N
XLogP2.98
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-7,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),7,10,12-pentaene?
The IUPAC name of 3,3,5,5-tetramethyl-7,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),7,10,12-pentaene (CID 155404101) is 3,3,5,5-tetramethyl-7,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),7,10,12-pentaene.
What is the SMILES notation for 3,3,5,5-tetramethyl-7,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),7,10,12-pentaene?
The canonical SMILES for 3,3,5,5-tetramethyl-7,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),7,10,12-pentaene is CC1(C)CC(C)(C)c2c1nnc1ccncc21.
What is the InChIKey of 3,3,5,5-tetramethyl-7,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),7,10,12-pentaene?
The InChIKey is PBDUKUNYZAZHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-13(2)8-14(3,4)12-11(13)9-7-15-6-5-10(9)16-17-12/h5-7H,8H2,1-4H3.
What are the key properties of 3,3,5,5-tetramethyl-7,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),7,10,12-pentaene?
3,3,5,5-tetramethyl-7,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),7,10,12-pentaene has a molecular weight of 227.31 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-7,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),7,10,12-pentaene is sourced from PubChem (CID 155404101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).