N-[(3-chlorophenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine

C21H16ClN5 — CID 46742340

IUPACN-[(3-chlorophenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESClc1cccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)c1
InChIInChI=1S/C21H16ClN5/c22-17-10-6-7-15(13-17)14-24-21-19(16-8-2-1-3-9-16)26-27-20(25-21)18-11-4-5-12-23-18/h1-13H,14H2,(H,24,25,27)
InChIKeyFWCNXQLOVXPNKX-UHFFFAOYSA-N
MW373.85 g/mol
LogP4.87
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine

N-[(3-chlorophenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (PubChem CID 46742340) has the molecular formula C21H16ClN5 and a molecular weight of 373.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
PubChem CID46742340
Molecular FormulaC21H16ClN5
Molecular Weight373.85 g/mol
Exact Mass373.11
IUPAC NameN-[(3-chlorophenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESClc1cccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)c1
InChIInChI=1S/C21H16ClN5/c22-17-10-6-7-15(13-17)14-24-21-19(16-8-2-1-3-9-16)26-27-20(25-21)18-11-4-5-12-23-18/h1-13H,14H2,(H,24,25,27)
InChIKeyFWCNXQLOVXPNKX-UHFFFAOYSA-N
XLogP4.87
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.85
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (CID 46742340) is N-[(3-chlorophenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is Clc1cccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The InChIKey is FWCNXQLOVXPNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5/c22-17-10-6-7-15(13-17)14-24-21-19(16-8-2-1-3-9-16)26-27-20(25-21)18-11-4-5-12-23-18/h1-13H,14H2,(H,24,25,27).
What are the key properties of N-[(3-chlorophenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
N-[(3-chlorophenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine has a molecular weight of 373.85 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 46742340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).