5-benzyl-N,4,12-trimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine

C18H19N5 — CID 118159549

IUPAC5-benzyl-N,4,12-trimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine
SMILESCNc1cc2c(cc(C)n2Cc2ccccc2)n2c(C)nnc12
InChIInChI=1S/C18H19N5/c1-12-9-17-16(22(12)11-14-7-5-4-6-8-14)10-15(19-3)18-21-20-13(2)23(17)18/h4-10,19H,11H2,1-3H3
InChIKeyGFERVXOJIQLMQT-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.39
Rot. Bonds3

About 5-benzyl-N,4,12-trimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine

5-benzyl-N,4,12-trimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine (PubChem CID 118159549) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-benzyl-N,4,12-trimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine.

Molecular Properties

Compound Name5-benzyl-N,4,12-trimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine
PubChem CID118159549
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name5-benzyl-N,4,12-trimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine
SMILESCNc1cc2c(cc(C)n2Cc2ccccc2)n2c(C)nnc12
InChIInChI=1S/C18H19N5/c1-12-9-17-16(22(12)11-14-7-5-4-6-8-14)10-15(19-3)18-21-20-13(2)23(17)18/h4-10,19H,11H2,1-3H3
InChIKeyGFERVXOJIQLMQT-UHFFFAOYSA-N
XLogP3.39
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-benzyl-N,4,12-trimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N,4,12-trimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine?
The IUPAC name of 5-benzyl-N,4,12-trimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine (CID 118159549) is 5-benzyl-N,4,12-trimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine.
What is the SMILES notation for 5-benzyl-N,4,12-trimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine?
The canonical SMILES for 5-benzyl-N,4,12-trimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine is CNc1cc2c(cc(C)n2Cc2ccccc2)n2c(C)nnc12.
What is the InChIKey of 5-benzyl-N,4,12-trimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine?
The InChIKey is GFERVXOJIQLMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-12-9-17-16(22(12)11-14-7-5-4-6-8-14)10-15(19-3)18-21-20-13(2)23(17)18/h4-10,19H,11H2,1-3H3.
What are the key properties of 5-benzyl-N,4,12-trimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine?
5-benzyl-N,4,12-trimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine has a molecular weight of 305.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N,4,12-trimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine is sourced from PubChem (CID 118159549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).