N-benzyl-6-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-triazin-5-amine

C21H16ClN5 — CID 22118832

IUPACN-benzyl-6-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-triazin-5-amine
SMILESClc1ccc(-c2nnc(-c3cccnc3)nc2NCc2ccccc2)cc1
InChIInChI=1S/C21H16ClN5/c22-18-10-8-16(9-11-18)19-21(24-13-15-5-2-1-3-6-15)25-20(27-26-19)17-7-4-12-23-14-17/h1-12,14H,13H2,(H,24,25,27)
InChIKeyKWWVUJSDRLCKAV-UHFFFAOYSA-N
MW373.85 g/mol
LogP4.87
Rot. Bonds5

About N-benzyl-6-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-triazin-5-amine

N-benzyl-6-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-triazin-5-amine (PubChem CID 22118832) has the molecular formula C21H16ClN5 and a molecular weight of 373.85 g/mol. Its IUPAC name is N-benzyl-6-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-benzyl-6-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-triazin-5-amine
PubChem CID22118832
Molecular FormulaC21H16ClN5
Molecular Weight373.85 g/mol
Exact Mass373.11
IUPAC NameN-benzyl-6-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-triazin-5-amine
SMILESClc1ccc(-c2nnc(-c3cccnc3)nc2NCc2ccccc2)cc1
InChIInChI=1S/C21H16ClN5/c22-18-10-8-16(9-11-18)19-21(24-13-15-5-2-1-3-6-15)25-20(27-26-19)17-7-4-12-23-14-17/h1-12,14H,13H2,(H,24,25,27)
InChIKeyKWWVUJSDRLCKAV-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-benzyl-6-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-benzyl-6-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-triazin-5-amine (CID 22118832) is N-benzyl-6-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-benzyl-6-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-benzyl-6-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-triazin-5-amine is Clc1ccc(-c2nnc(-c3cccnc3)nc2NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-6-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-triazin-5-amine?
The InChIKey is KWWVUJSDRLCKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5/c22-18-10-8-16(9-11-18)19-21(24-13-15-5-2-1-3-6-15)25-20(27-26-19)17-7-4-12-23-14-17/h1-12,14H,13H2,(H,24,25,27).
What are the key properties of N-benzyl-6-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-triazin-5-amine?
N-benzyl-6-(4-chlorophenyl)-3-pyridin-3-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-benzyl-6-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 22118832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).