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

C13H13N7O — CID 57396936

IUPAC11-(furan-2-yl)-4-propyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine
SMILESCCCn1cc2nc(N)n3nc(-c4ccco4)nc3c2n1
InChIInChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)12-16-11(9-4-3-6-21-9)18-20(12)13(14)15-8/h3-4,6-7H,2,5H2,1H3,(H2,14,15)
InChIKeyZAZPRMLVZGANMF-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.73
Rot. Bonds3

About 11-(furan-2-yl)-4-propyl-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-propyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine (PubChem CID 57396936) has the molecular formula C13H13N7O and a molecular weight of 283.29 g/mol. Its IUPAC name is 11-(furan-2-yl)-4-propyl-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-propyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine
PubChem CID57396936
Molecular FormulaC13H13N7O
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name11-(furan-2-yl)-4-propyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine
SMILESCCCn1cc2nc(N)n3nc(-c4ccco4)nc3c2n1
InChIInChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)12-16-11(9-4-3-6-21-9)18-20(12)13(14)15-8/h3-4,6-7H,2,5H2,1H3,(H2,14,15)
InChIKeyZAZPRMLVZGANMF-UHFFFAOYSA-N
XLogP1.73
TPSA100.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 11-(furan-2-yl)-4-propyl-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-propyl-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-propyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine (CID 57396936) is 11-(furan-2-yl)-4-propyl-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-propyl-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-propyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine is CCCn1cc2nc(N)n3nc(-c4ccco4)nc3c2n1.
What is the InChIKey of 11-(furan-2-yl)-4-propyl-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 ZAZPRMLVZGANMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)12-16-11(9-4-3-6-21-9)18-20(12)13(14)15-8/h3-4,6-7H,2,5H2,1H3,(H2,14,15).
What are the key properties of 11-(furan-2-yl)-4-propyl-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-propyl-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 283.29 g/mol, XLogP of 1.73, 3 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-propyl-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 57396936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).