3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine

C20H15ClFN5 — CID 24887197

IUPAC3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine
SMILESFc1ccc(CNn2c(-c3ccncc3)nnc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H15ClFN5/c21-17-5-3-15(4-6-17)19-25-26-20(16-9-11-23-12-10-16)27(19)24-13-14-1-7-18(22)8-2-14/h1-12,24H,13H2
InChIKeyNNBSUSRLLOBJQO-UHFFFAOYSA-N
MW379.83 g/mol
LogP4.54
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine

3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine (PubChem CID 24887197) has the molecular formula C20H15ClFN5 and a molecular weight of 379.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine
PubChem CID24887197
Molecular FormulaC20H15ClFN5
Molecular Weight379.83 g/mol
Exact Mass379.10
IUPAC Name3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine
SMILESFc1ccc(CNn2c(-c3ccncc3)nnc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H15ClFN5/c21-17-5-3-15(4-6-17)19-25-26-20(16-9-11-23-12-10-16)27(19)24-13-14-1-7-18(22)8-2-14/h1-12,24H,13H2
InChIKeyNNBSUSRLLOBJQO-UHFFFAOYSA-N
XLogP4.54
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.83
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-one
CID 25196128
3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine
CID 24886930
3-[(4-bromophenyl)methylamino]-2-(4-fluorophenyl)pyrido[3,4-d]pyrimidin-4-one
CID 25195810
5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide
CID 42785570
2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-chlorophenyl)methyl]acetamide
CID 35985704
5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
CID 25275557
3-[(4-bromophenyl)methylamino]-2-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one
CID 25197257
3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one
CID 3389245
4-[(4-nitrophenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
CID 4726706
N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465914
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718091
1-(4-fluorophenyl)-2-(4-pyridin-4-ylphenyl)ethanol
CID 67902820

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine (CID 24887197) is 3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine is Fc1ccc(CNn2c(-c3ccncc3)nnc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine?
The InChIKey is NNBSUSRLLOBJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN5/c21-17-5-3-15(4-6-17)19-25-26-20(16-9-11-23-12-10-16)27(19)24-13-14-1-7-18(22)8-2-14/h1-12,24H,13H2.
What are the key properties of 3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine?
3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine has a molecular weight of 379.83 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine is sourced from PubChem (CID 24887197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).