8,9,10,10,12-pentamethyl-1,12,15,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaene

C19H24N4 — CID 146532702

IUPAC8,9,10,10,12-pentamethyl-1,12,15,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaene
SMILESCC1c2ccccc2N2c3ncncc3N(C)C2C(C)(C)C1C
InChIInChI=1S/C19H24N4/c1-12-13(2)19(3,4)18-22(5)16-10-20-11-21-17(16)23(18)15-9-7-6-8-14(12)15/h6-13,18H,1-5H3
InChIKeyCKRYRYIUPHAKOE-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.17
Rot. Bonds

About 8,9,10,10,12-pentamethyl-1,12,15,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaene

8,9,10,10,12-pentamethyl-1,12,15,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaene (PubChem CID 146532702) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 8,9,10,10,12-pentamethyl-1,12,15,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaene.

Molecular Properties

Compound Name8,9,10,10,12-pentamethyl-1,12,15,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaene
PubChem CID146532702
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name8,9,10,10,12-pentamethyl-1,12,15,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaene
SMILESCC1c2ccccc2N2c3ncncc3N(C)C2C(C)(C)C1C
InChIInChI=1S/C19H24N4/c1-12-13(2)19(3,4)18-22(5)16-10-20-11-21-17(16)23(18)15-9-7-6-8-14(12)15/h6-13,18H,1-5H3
InChIKeyCKRYRYIUPHAKOE-UHFFFAOYSA-N
XLogP4.17
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8,9,10,10,12-pentamethyl-1,12,15,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,9,10,10,12-pentamethyl-1,12,15,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaene?
The IUPAC name of 8,9,10,10,12-pentamethyl-1,12,15,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaene (CID 146532702) is 8,9,10,10,12-pentamethyl-1,12,15,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaene.
What is the SMILES notation for 8,9,10,10,12-pentamethyl-1,12,15,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaene?
The canonical SMILES for 8,9,10,10,12-pentamethyl-1,12,15,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaene is CC1c2ccccc2N2c3ncncc3N(C)C2C(C)(C)C1C.
What is the InChIKey of 8,9,10,10,12-pentamethyl-1,12,15,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaene?
The InChIKey is CKRYRYIUPHAKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-12-13(2)19(3,4)18-22(5)16-10-20-11-21-17(16)23(18)15-9-7-6-8-14(12)15/h6-13,18H,1-5H3.
What are the key properties of 8,9,10,10,12-pentamethyl-1,12,15,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaene?
8,9,10,10,12-pentamethyl-1,12,15,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaene has a molecular weight of 308.43 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,10,10,12-pentamethyl-1,12,15,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaene is sourced from PubChem (CID 146532702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).