ethane;[4-[3-(methylamino)-1,2,4-triazin-6-yl]-7-pyrazol-1-ylindazol-1-yl] thiohypofluorite

C16H17FN8S — CID 167502403

IUPACethane;[4-[3-(methylamino)-1,2,4-triazin-6-yl]-7-pyrazol-1-ylindazol-1-yl] thiohypofluorite
SMILESCC.CNc1ncc(-c2ccc(-n3cccn3)c3c2cnn3SF)nn1
InChIInChI=1S/C14H11FN8S.C2H6/c1-16-14-17-8-11(20-21-14)9-3-4-12(22-6-2-5-18-22)13-10(9)7-19-23(13)24-15;1-2/h2-8H,1H3,(H,16,17,21);1-2H3
InChIKeyFRHOZLAKLYSSLH-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.52
Rot. Bonds4

About ethane;[4-[3-(methylamino)-1,2,4-triazin-6-yl]-7-pyrazol-1-ylindazol-1-yl] thiohypofluorite

ethane;[4-[3-(methylamino)-1,2,4-triazin-6-yl]-7-pyrazol-1-ylindazol-1-yl] thiohypofluorite (PubChem CID 167502403) has the molecular formula C16H17FN8S and a molecular weight of 372.43 g/mol. Its IUPAC name is ethane;[4-[3-(methylamino)-1,2,4-triazin-6-yl]-7-pyrazol-1-ylindazol-1-yl] thiohypofluorite.

Molecular Properties

Compound Nameethane;[4-[3-(methylamino)-1,2,4-triazin-6-yl]-7-pyrazol-1-ylindazol-1-yl] thiohypofluorite
PubChem CID167502403
Molecular FormulaC16H17FN8S
Molecular Weight372.43 g/mol
Exact Mass372.13
IUPAC Nameethane;[4-[3-(methylamino)-1,2,4-triazin-6-yl]-7-pyrazol-1-ylindazol-1-yl] thiohypofluorite
SMILESCC.CNc1ncc(-c2ccc(-n3cccn3)c3c2cnn3SF)nn1
InChIInChI=1S/C14H11FN8S.C2H6/c1-16-14-17-8-11(20-21-14)9-3-4-12(22-6-2-5-18-22)13-10(9)7-19-23(13)24-15;1-2/h2-8H,1H3,(H,16,17,21);1-2H3
InChIKeyFRHOZLAKLYSSLH-UHFFFAOYSA-N
XLogP3.52
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

7-pyrazol-1-yl-4-[3-(3,3,5,5-tetramethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-1H-indazole
CID 167502583
6-(4-methoxy-2-pyrazol-1-ylphenyl)-N-methylpyridazin-3-amine
CID 121496354
5-(4-methyl-2-pyrazol-1-ylphenyl)pyrazin-2-amine
CID 72868725
1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine
CID 43314016
1-[2,3,4-tri(pyrazol-1-yl)phenyl]pyrazole
CID 101467101
2-methoxy-N-methyl-3-pyrazol-1-ylaniline
CID 123545407
N-methyl-4-pyrazol-1-ylquinazolin-2-amine
CID 80854215
1-methoxy-4-(2-pyrazol-1-ylphenyl)phthalazine
CID 146152396
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 43314015
2,3-di(pyrazol-1-yl)pyridine
CID 91358877
6-(4-methyl-2-pyrazol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 121496518
4-(2,4-dichlorophenyl)-5-pyrazol-1-ylpyrimidine
CID 91088222

Frequently Asked Questions

What is the IUPAC name of ethane;[4-[3-(methylamino)-1,2,4-triazin-6-yl]-7-pyrazol-1-ylindazol-1-yl] thiohypofluorite?
The IUPAC name of ethane;[4-[3-(methylamino)-1,2,4-triazin-6-yl]-7-pyrazol-1-ylindazol-1-yl] thiohypofluorite (CID 167502403) is ethane;[4-[3-(methylamino)-1,2,4-triazin-6-yl]-7-pyrazol-1-ylindazol-1-yl] thiohypofluorite.
What is the SMILES notation for ethane;[4-[3-(methylamino)-1,2,4-triazin-6-yl]-7-pyrazol-1-ylindazol-1-yl] thiohypofluorite?
The canonical SMILES for ethane;[4-[3-(methylamino)-1,2,4-triazin-6-yl]-7-pyrazol-1-ylindazol-1-yl] thiohypofluorite is CC.CNc1ncc(-c2ccc(-n3cccn3)c3c2cnn3SF)nn1.
What is the InChIKey of ethane;[4-[3-(methylamino)-1,2,4-triazin-6-yl]-7-pyrazol-1-ylindazol-1-yl] thiohypofluorite?
The InChIKey is FRHOZLAKLYSSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN8S.C2H6/c1-16-14-17-8-11(20-21-14)9-3-4-12(22-6-2-5-18-22)13-10(9)7-19-23(13)24-15;1-2/h2-8H,1H3,(H,16,17,21);1-2H3.
What are the key properties of ethane;[4-[3-(methylamino)-1,2,4-triazin-6-yl]-7-pyrazol-1-ylindazol-1-yl] thiohypofluorite?
ethane;[4-[3-(methylamino)-1,2,4-triazin-6-yl]-7-pyrazol-1-ylindazol-1-yl] thiohypofluorite has a molecular weight of 372.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-[3-(methylamino)-1,2,4-triazin-6-yl]-7-pyrazol-1-ylindazol-1-yl] thiohypofluorite is sourced from PubChem (CID 167502403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).