N-(4-fluorophenyl)-3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazin-5-amine

C18H12FN5S — CID 146048262

IUPACN-(4-fluorophenyl)-3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazin-5-amine
SMILESFc1ccc(Nc2nc(-c3ccccn3)nnc2-c2cccs2)cc1
InChIInChI=1S/C18H12FN5S/c19-12-6-8-13(9-7-12)21-18-16(15-5-3-11-25-15)23-24-17(22-18)14-4-1-2-10-20-14/h1-11H,(H,21,22,24)
InChIKeyHVEOHAQYPPVBDE-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.54
Rot. Bonds4

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

N-(4-fluorophenyl)-3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazin-5-amine (PubChem CID 146048262) has the molecular formula C18H12FN5S and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazin-5-amine
PubChem CID146048262
Molecular FormulaC18H12FN5S
Molecular Weight349.39 g/mol
Exact Mass349.08
IUPAC NameN-(4-fluorophenyl)-3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazin-5-amine
SMILESFc1ccc(Nc2nc(-c3ccccn3)nnc2-c2cccs2)cc1
InChIInChI=1S/C18H12FN5S/c19-12-6-8-13(9-7-12)21-18-16(15-5-3-11-25-15)23-24-17(22-18)14-4-1-2-10-20-14/h1-11H,(H,21,22,24)
InChIKeyHVEOHAQYPPVBDE-UHFFFAOYSA-N
XLogP4.54
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Methyl-2-[2-(4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67258155
US10336761, Example 12
CID 126499877
US10336761, Example 17
CID 135262377
2-[(4-Phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
CID 2539904
N-phenyl-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 7190444
N-(2-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 7190468
N-(3-fluorophenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 7190470
6-[(3-Fluorophenyl)methylsulfanyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190527
2-Phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
CID 127035004
2-Phenyl-5-(thiophen-2-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine
CID 127037440
5-chloro-2-N-(6-thiophen-3-ylpyridazin-3-yl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 168286013
6-[(4-Fluorophenyl)methylsulfanyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190530

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-(4-fluorophenyl)-3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazin-5-amine (CID 146048262) is N-(4-fluorophenyl)-3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(4-fluorophenyl)-3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-(4-fluorophenyl)-3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazin-5-amine is Fc1ccc(Nc2nc(-c3ccccn3)nnc2-c2cccs2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazin-5-amine?
The InChIKey is HVEOHAQYPPVBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5S/c19-12-6-8-13(9-7-12)21-18-16(15-5-3-11-25-15)23-24-17(22-18)14-4-1-2-10-20-14/h1-11H,(H,21,22,24).
What are the key properties of N-(4-fluorophenyl)-3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazin-5-amine?
N-(4-fluorophenyl)-3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazin-5-amine has a molecular weight of 349.39 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 146048262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).