11-(furan-2-yl)-4-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine

C18H15N7O — CID 57403905

IUPAC11-(furan-2-yl)-4-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine
SMILESNc1nc2cn(CCc3ccccc3)nc2c2nc(-c3ccco3)nn12
InChIInChI=1S/C18H15N7O/c19-18-20-13-11-24(9-8-12-5-2-1-3-6-12)22-15(13)17-21-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,20)
InChIKeyDVVJRAYQCKIHRD-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.56
Rot. Bonds4

About 11-(furan-2-yl)-4-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine

11-(furan-2-yl)-4-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine (PubChem CID 57403905) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is 11-(furan-2-yl)-4-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine.

Molecular Properties

Compound Name11-(furan-2-yl)-4-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine
PubChem CID57403905
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC Name11-(furan-2-yl)-4-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine
SMILESNc1nc2cn(CCc3ccccc3)nc2c2nc(-c3ccco3)nn12
InChIInChI=1S/C18H15N7O/c19-18-20-13-11-24(9-8-12-5-2-1-3-6-12)22-15(13)17-21-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,20)
InChIKeyDVVJRAYQCKIHRD-UHFFFAOYSA-N
XLogP2.56
TPSA100.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 11-(furan-2-yl)-4-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-(furan-2-yl)-4-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine?
The IUPAC name of 11-(furan-2-yl)-4-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine (CID 57403905) is 11-(furan-2-yl)-4-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine.
What is the SMILES notation for 11-(furan-2-yl)-4-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine?
The canonical SMILES for 11-(furan-2-yl)-4-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine is Nc1nc2cn(CCc3ccccc3)nc2c2nc(-c3ccco3)nn12.
What is the InChIKey of 11-(furan-2-yl)-4-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine?
The InChIKey is DVVJRAYQCKIHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O/c19-18-20-13-11-24(9-8-12-5-2-1-3-6-12)22-15(13)17-21-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,20).
What are the key properties of 11-(furan-2-yl)-4-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine?
11-(furan-2-yl)-4-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine has a molecular weight of 345.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(furan-2-yl)-4-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine is sourced from PubChem (CID 57403905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).