1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine

C10H8N4 — CID 11332868

IUPAC1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine
SMILESNc1nccc2cc3cccnc3n12
InChIInChI=1S/C10H8N4/c11-10-13-5-3-8-6-7-2-1-4-12-9(7)14(8)10/h1-6H,(H2,11,13)
InChIKeyNAWSGAXZHRACMN-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.46
Rot. Bonds

About 1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine

1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine (PubChem CID 11332868) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine.

Molecular Properties

Compound Name1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine
PubChem CID11332868
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine
SMILESNc1nccc2cc3cccnc3n12
InChIInChI=1S/C10H8N4/c11-10-13-5-3-8-6-7-2-1-4-12-9(7)14(8)10/h1-6H,(H2,11,13)
InChIKeyNAWSGAXZHRACMN-UHFFFAOYSA-N
XLogP1.46
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine?
The IUPAC name of 1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine (CID 11332868) is 1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine.
What is the SMILES notation for 1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine?
The canonical SMILES for 1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine is Nc1nccc2cc3cccnc3n12.
What is the InChIKey of 1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine?
The InChIKey is NAWSGAXZHRACMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c11-10-13-5-3-8-6-7-2-1-4-12-9(7)14(8)10/h1-6H,(H2,11,13).
What are the key properties of 1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine?
1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine has a molecular weight of 184.20 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine is sourced from PubChem (CID 11332868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).