4,8,12-trimethyl-3,13-dipyridin-3-yl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene

C23H27N5 — CID 3755554

IUPAC4,8,12-trimethyl-3,13-dipyridin-3-yl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene
SMILESCN1CCc2c(c3c(n2C)CCN(C)C3c2cccnc2)C1c1cccnc1
InChIInChI=1S/C23H27N5/c1-26-12-8-18-20(22(26)16-6-4-10-24-14-16)21-19(28(18)3)9-13-27(2)23(21)17-7-5-11-25-15-17/h4-7,10-11,14-15,22-23H,8-9,12-13H2,1-3H3
InChIKeyPDDZIKHNUPMLDS-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.97
Rot. Bonds2

About 4,8,12-trimethyl-3,13-dipyridin-3-yl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene

4,8,12-trimethyl-3,13-dipyridin-3-yl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene (PubChem CID 3755554) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4,8,12-trimethyl-3,13-dipyridin-3-yl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene.

Molecular Properties

Compound Name4,8,12-trimethyl-3,13-dipyridin-3-yl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene
PubChem CID3755554
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC Name4,8,12-trimethyl-3,13-dipyridin-3-yl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene
SMILESCN1CCc2c(c3c(n2C)CCN(C)C3c2cccnc2)C1c1cccnc1
InChIInChI=1S/C23H27N5/c1-26-12-8-18-20(22(26)16-6-4-10-24-14-16)21-19(28(18)3)9-13-27(2)23(21)17-7-5-11-25-15-17/h4-7,10-11,14-15,22-23H,8-9,12-13H2,1-3H3
InChIKeyPDDZIKHNUPMLDS-UHFFFAOYSA-N
XLogP2.97
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,8,12-trimethyl-3,13-dipyridin-3-yl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene?
The IUPAC name of 4,8,12-trimethyl-3,13-dipyridin-3-yl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene (CID 3755554) is 4,8,12-trimethyl-3,13-dipyridin-3-yl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene.
What is the SMILES notation for 4,8,12-trimethyl-3,13-dipyridin-3-yl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene?
The canonical SMILES for 4,8,12-trimethyl-3,13-dipyridin-3-yl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene is CN1CCc2c(c3c(n2C)CCN(C)C3c2cccnc2)C1c1cccnc1.
What is the InChIKey of 4,8,12-trimethyl-3,13-dipyridin-3-yl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene?
The InChIKey is PDDZIKHNUPMLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-26-12-8-18-20(22(26)16-6-4-10-24-14-16)21-19(28(18)3)9-13-27(2)23(21)17-7-5-11-25-15-17/h4-7,10-11,14-15,22-23H,8-9,12-13H2,1-3H3.
What are the key properties of 4,8,12-trimethyl-3,13-dipyridin-3-yl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene?
4,8,12-trimethyl-3,13-dipyridin-3-yl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene has a molecular weight of 373.50 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,12-trimethyl-3,13-dipyridin-3-yl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene is sourced from PubChem (CID 3755554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).