N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine

C16H11FN8S — CID 146548815

IUPACN-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(Nc2nnc(-c3ccncc3F)c(-c3cccnc3)n2)n1
InChIInChI=1S/C16H11FN8S/c1-9-20-16(26-25-9)22-15-21-13(10-3-2-5-18-7-10)14(23-24-15)11-4-6-19-8-12(11)17/h2-8H,1H3,(H,20,21,22,24,25)
InChIKeyIAXHIHKHAWQPHY-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.04
Rot. Bonds4

About N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine

N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 146548815) has the molecular formula C16H11FN8S and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID146548815
Molecular FormulaC16H11FN8S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC NameN-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(Nc2nnc(-c3ccncc3F)c(-c3cccnc3)n2)n1
InChIInChI=1S/C16H11FN8S/c1-9-20-16(26-25-9)22-15-21-13(10-3-2-5-18-7-10)14(23-24-15)11-4-6-19-8-12(11)17/h2-8H,1H3,(H,20,21,22,24,25)
InChIKeyIAXHIHKHAWQPHY-UHFFFAOYSA-N
XLogP3.04
TPSA102.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(3-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-amine
CID 146550074
3-methyl-5-pyridin-3-yl-1,2,4-thiadiazole
CID 14763500
5-(3-fluoro-4-pyridinyl)-6-pyridin-3-yl-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazin-2-amine
CID 91242587
5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine;5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine
CID 69149581
N-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-thiadiazol-5-amine
CID 45034036
5-fluoro-N-(4-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58496115
3-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 133443819
5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-3-iodo-1,2,4-triazine
CID 146548811
5-(4-methylphenyl)-3-methylsulfanyl-6-pyridin-3-yl-1,2,4-triazine
CID 67430647
3-methyl-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine
CID 130007374
1-cyclopropyl-3-[5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,2,4-triazin-3-yl]urea
CID 146550095
6-(3-fluoro-4-pyridinyl)-N-phenyl-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-amine
CID 141174247

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 146548815) is N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(Nc2nnc(-c3ccncc3F)c(-c3cccnc3)n2)n1.
What is the InChIKey of N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is IAXHIHKHAWQPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN8S/c1-9-20-16(26-25-9)22-15-21-13(10-3-2-5-18-7-10)14(23-24-15)11-4-6-19-8-12(11)17/h2-8H,1H3,(H,20,21,22,24,25).
What are the key properties of N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 366.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 146548815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).