5-[(3,5-dichloro-4-naphthalen-1-ylphenyl)methyl]-1H-1,2,4-triazol-3-amine

C19H14Cl2N4 — CID 158753754

IUPAC5-[(3,5-dichloro-4-naphthalen-1-ylphenyl)methyl]-1H-1,2,4-triazol-3-amine
SMILESC1=CC=C2C(=C1)C=CC=C2C3=C(C=C(C=C3Cl)CC4=NC(=NN4)N)Cl
InChIInChI=1S/C19H14Cl2N4/c20-15-8-11(10-17-23-19(22)25-24-17)9-16(21)18(15)14-7-3-5-12-4-1-2-6-13(12)14/h1-9H,10H2,(H3,22,23,24,25)
InChIKeyINUMHNWNUCRXLB-UHFFFAOYSA-N
MW369.20 g/mol
LogP5.70
Rot. Bonds3

About 5-[(3,5-dichloro-4-naphthalen-1-ylphenyl)methyl]-1H-1,2,4-triazol-3-amine

5-[(3,5-dichloro-4-naphthalen-1-ylphenyl)methyl]-1H-1,2,4-triazol-3-amine (PubChem CID 158753754) has the molecular formula C19H14Cl2N4 and a molecular weight of 369.20 g/mol. Its IUPAC name is 5-[(3,5-dichloro-4-naphthalen-1-ylphenyl)methyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[(3,5-dichloro-4-naphthalen-1-ylphenyl)methyl]-1H-1,2,4-triazol-3-amine
PubChem CID158753754
Molecular FormulaC19H14Cl2N4
Molecular Weight369.20 g/mol
Exact Mass368.06
IUPAC Name5-[(3,5-dichloro-4-naphthalen-1-ylphenyl)methyl]-1H-1,2,4-triazol-3-amine
SMILESC1=CC=C2C(=C1)C=CC=C2C3=C(C=C(C=C3Cl)CC4=NC(=NN4)N)Cl
InChIInChI=1S/C19H14Cl2N4/c20-15-8-11(10-17-23-19(22)25-24-17)9-16(21)18(15)14-7-3-5-12-4-1-2-6-13(12)14/h1-9H,10H2,(H3,22,23,24,25)
InChIKeyINUMHNWNUCRXLB-UHFFFAOYSA-N
XLogP5.70
TPSA67.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity439

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.20
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(3,5-dichloro-4-naphthalen-1-ylphenyl)methyl]-1H-1,2,4-triazol-3-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 5-[(3,5-dichloro-4-naphthalen-1-ylphenyl)methyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[(3,5-dichloro-4-naphthalen-1-ylphenyl)methyl]-1H-1,2,4-triazol-3-amine (CID 158753754) is 5-[(3,5-dichloro-4-naphthalen-1-ylphenyl)methyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[(3,5-dichloro-4-naphthalen-1-ylphenyl)methyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[(3,5-dichloro-4-naphthalen-1-ylphenyl)methyl]-1H-1,2,4-triazol-3-amine is C1=CC=C2C(=C1)C=CC=C2C3=C(C=C(C=C3Cl)CC4=NC(=NN4)N)Cl.
What is the InChIKey of 5-[(3,5-dichloro-4-naphthalen-1-ylphenyl)methyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is INUMHNWNUCRXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4/c20-15-8-11(10-17-23-19(22)25-24-17)9-16(21)18(15)14-7-3-5-12-4-1-2-6-13(12)14/h1-9H,10H2,(H3,22,23,24,25).
What are the key properties of 5-[(3,5-dichloro-4-naphthalen-1-ylphenyl)methyl]-1H-1,2,4-triazol-3-amine?
5-[(3,5-dichloro-4-naphthalen-1-ylphenyl)methyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 369.20 g/mol, XLogP of 5.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichloro-4-naphthalen-1-ylphenyl)methyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 158753754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).