N-phenyl-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine

C15H15N3 — CID 104609507

IUPACN-phenyl-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine
SMILESc1ccc(Nc2ncc3c(n2)C2CCC3C2)cc1
InChIInChI=1S/C15H15N3/c1-2-4-12(5-3-1)17-15-16-9-13-10-6-7-11(8-10)14(13)18-15/h1-5,9-11H,6-8H2,(H,16,17,18)
InChIKeyBSRWKPFLELZBCM-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.58
Rot. Bonds2

About N-phenyl-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine

N-phenyl-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine (PubChem CID 104609507) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is N-phenyl-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine.

Molecular Properties

Compound NameN-phenyl-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine
PubChem CID104609507
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC NameN-phenyl-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine
SMILESc1ccc(Nc2ncc3c(n2)C2CCC3C2)cc1
InChIInChI=1S/C15H15N3/c1-2-4-12(5-3-1)17-15-16-9-13-10-6-7-11(8-10)14(13)18-15/h1-5,9-11H,6-8H2,(H,16,17,18)
InChIKeyBSRWKPFLELZBCM-UHFFFAOYSA-N
XLogP3.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine?
The IUPAC name of N-phenyl-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine (CID 104609507) is N-phenyl-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine.
What is the SMILES notation for N-phenyl-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine?
The canonical SMILES for N-phenyl-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine is c1ccc(Nc2ncc3c(n2)C2CCC3C2)cc1.
What is the InChIKey of N-phenyl-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine?
The InChIKey is BSRWKPFLELZBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-2-4-12(5-3-1)17-15-16-9-13-10-6-7-11(8-10)14(13)18-15/h1-5,9-11H,6-8H2,(H,16,17,18).
What are the key properties of N-phenyl-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine?
N-phenyl-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine has a molecular weight of 237.31 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine is sourced from PubChem (CID 104609507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).