3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene

C20H20N4 — CID 11990813

IUPAC3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene
SMILESCC1=C(C)/N=c2/cccc/c2=N\C(C)=C(C)/N=c2\cccc\c2=N\1
InChIInChI=1S/C20H20N4/c1-13-14(2)22-19-11-7-8-12-20(19)24-16(4)15(3)23-18-10-6-5-9-17(18)21-13/h5-12H,1-4H3/b14-13?,16-15?,21-13?,21-17-,22-14?,22-19-,23-15?,23-18+,24-16?,24-20+
InChIKeyQDWVCPIOFHVDDS-RRVHFSAYSA-N
MW316.41 g/mol
LogP2.38
Rot. Bonds

About 3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene

3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene (PubChem CID 11990813) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene.

Molecular Properties

Compound Name3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene
PubChem CID11990813
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene
SMILESCC1=C(C)/N=c2/cccc/c2=N\C(C)=C(C)/N=c2\cccc\c2=N\1
InChIInChI=1S/C20H20N4/c1-13-14(2)22-19-11-7-8-12-20(19)24-16(4)15(3)23-18-10-6-5-9-17(18)21-13/h5-12H,1-4H3/b14-13?,16-15?,21-13?,21-17-,22-14?,22-19-,23-15?,23-18+,24-16?,24-20+
InChIKeyQDWVCPIOFHVDDS-RRVHFSAYSA-N
XLogP2.38
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene?
The IUPAC name of 3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene (CID 11990813) is 3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene.
What is the SMILES notation for 3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene?
The canonical SMILES for 3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene is CC1=C(C)/N=c2/cccc/c2=N\C(C)=C(C)/N=c2\cccc\c2=N\1.
What is the InChIKey of 3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene?
The InChIKey is QDWVCPIOFHVDDS-RRVHFSAYSA-N. The full InChI is InChI=1S/C20H20N4/c1-13-14(2)22-19-11-7-8-12-20(19)24-16(4)15(3)23-18-10-6-5-9-17(18)21-13/h5-12H,1-4H3/b14-13?,16-15?,21-13?,21-17-,22-14?,22-19-,23-15?,23-18+,24-16?,24-20+.
What are the key properties of 3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene?
3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene has a molecular weight of 316.41 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,13,14-tetramethyl-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene is sourced from PubChem (CID 11990813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).