3-methyl-8,11,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaene

C14H14N4 — CID 69152446

IUPAC3-methyl-8,11,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaene
SMILESCc1cccc2ncc3nc4n(c3c12)CCNC4
InChIInChI=1S/C14H14N4/c1-9-3-2-4-10-13(9)14-11(7-16-10)17-12-8-15-5-6-18(12)14/h2-4,7,15H,5-6,8H2,1H3
InChIKeyAUXNNVGAHWTBNY-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.00
Rot. Bonds

About 3-methyl-8,11,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaene

3-methyl-8,11,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaene (PubChem CID 69152446) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-methyl-8,11,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaene.

Molecular Properties

Compound Name3-methyl-8,11,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaene
PubChem CID69152446
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name3-methyl-8,11,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaene
SMILESCc1cccc2ncc3nc4n(c3c12)CCNC4
InChIInChI=1S/C14H14N4/c1-9-3-2-4-10-13(9)14-11(7-16-10)17-12-8-15-5-6-18(12)14/h2-4,7,15H,5-6,8H2,1H3
InChIKeyAUXNNVGAHWTBNY-UHFFFAOYSA-N
XLogP2.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8,11,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaene?
The IUPAC name of 3-methyl-8,11,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaene (CID 69152446) is 3-methyl-8,11,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaene.
What is the SMILES notation for 3-methyl-8,11,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaene?
The canonical SMILES for 3-methyl-8,11,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaene is Cc1cccc2ncc3nc4n(c3c12)CCNC4.
What is the InChIKey of 3-methyl-8,11,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaene?
The InChIKey is AUXNNVGAHWTBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-3-2-4-10-13(9)14-11(7-16-10)17-12-8-15-5-6-18(12)14/h2-4,7,15H,5-6,8H2,1H3.
What are the key properties of 3-methyl-8,11,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaene?
3-methyl-8,11,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaene has a molecular weight of 238.29 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8,11,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaene is sourced from PubChem (CID 69152446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).