N-phenyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine

C20H14N6 — CID 57390291

IUPACN-phenyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
SMILESc1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)cc1
InChIInChI=1S/C20H14N6/c1-2-5-13(6-3-1)24-20-15-9-10-21-11-17(15)14-7-4-8-16(18(14)25-20)19-22-12-23-26-19/h1-12H,(H,24,25)(H,22,23,26)
InChIKeySUWUBTVCKQZMPW-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.31
Rot. Bonds3

About N-phenyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine

N-phenyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine (PubChem CID 57390291) has the molecular formula C20H14N6 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-phenyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine.

Molecular Properties

Compound NameN-phenyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
PubChem CID57390291
Molecular FormulaC20H14N6
Molecular Weight338.37 g/mol
Exact Mass338.13
IUPAC NameN-phenyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
SMILESc1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)cc1
InChIInChI=1S/C20H14N6/c1-2-5-13(6-3-1)24-20-15-9-10-21-11-17(15)14-7-4-8-16(18(14)25-20)19-22-12-23-26-19/h1-12H,(H,24,25)(H,22,23,26)
InChIKeySUWUBTVCKQZMPW-UHFFFAOYSA-N
XLogP4.31
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The IUPAC name of N-phenyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine (CID 57390291) is N-phenyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine.
What is the SMILES notation for N-phenyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The canonical SMILES for N-phenyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine is c1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)cc1.
What is the InChIKey of N-phenyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The InChIKey is SUWUBTVCKQZMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6/c1-2-5-13(6-3-1)24-20-15-9-10-21-11-17(15)14-7-4-8-16(18(14)25-20)19-22-12-23-26-19/h1-12H,(H,24,25)(H,22,23,26).
What are the key properties of N-phenyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
N-phenyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine has a molecular weight of 338.37 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine is sourced from PubChem (CID 57390291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).