6,13-dimethyl-2,3,9,10-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene

C14H16N4 — CID 25243413

IUPAC6,13-dimethyl-2,3,9,10-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene
SMILESCC1Cc2nnc3c4c(nnc(c24)C1)CC(C)C3
InChIInChI=1S/C14H16N4/c1-7-3-9-13-10(4-7)16-18-12-6-8(2)5-11(14(12)13)17-15-9/h7-8H,3-6H2,1-2H3
InChIKeyOLKOUCRQMUPKBK-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.89
Rot. Bonds

About 6,13-dimethyl-2,3,9,10-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene

6,13-dimethyl-2,3,9,10-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene (PubChem CID 25243413) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 6,13-dimethyl-2,3,9,10-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene.

Molecular Properties

Compound Name6,13-dimethyl-2,3,9,10-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene
PubChem CID25243413
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name6,13-dimethyl-2,3,9,10-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene
SMILESCC1Cc2nnc3c4c(nnc(c24)C1)CC(C)C3
InChIInChI=1S/C14H16N4/c1-7-3-9-13-10(4-7)16-18-12-6-8(2)5-11(14(12)13)17-15-9/h7-8H,3-6H2,1-2H3
InChIKeyOLKOUCRQMUPKBK-UHFFFAOYSA-N
XLogP1.89
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,13-dimethyl-2,3,9,10-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene?
The IUPAC name of 6,13-dimethyl-2,3,9,10-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene (CID 25243413) is 6,13-dimethyl-2,3,9,10-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene.
What is the SMILES notation for 6,13-dimethyl-2,3,9,10-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene?
The canonical SMILES for 6,13-dimethyl-2,3,9,10-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene is CC1Cc2nnc3c4c(nnc(c24)C1)CC(C)C3.
What is the InChIKey of 6,13-dimethyl-2,3,9,10-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene?
The InChIKey is OLKOUCRQMUPKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-7-3-9-13-10(4-7)16-18-12-6-8(2)5-11(14(12)13)17-15-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 6,13-dimethyl-2,3,9,10-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene?
6,13-dimethyl-2,3,9,10-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene has a molecular weight of 240.31 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-dimethyl-2,3,9,10-tetrazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene is sourced from PubChem (CID 25243413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).