8-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylsulfanylimidazo[1,2-d][1,2,4]triazine

C10H12FN5S — CID 177182464

IUPAC8-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylsulfanylimidazo[1,2-d][1,2,4]triazine
SMILESCSc1nnc(N2CC[C@@H](F)C2)c2nccn12
InChIInChI=1S/C10H12FN5S/c1-17-10-14-13-9(8-12-3-5-16(8)10)15-4-2-7(11)6-15/h3,5,7H,2,4,6H2,1H3/t7-/m1/s1
InChIKeyZTZWHSKSBJXKOW-SSDOTTSWSA-N
MW253.31 g/mol
LogP1.39
Rot. Bonds2

About 8-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylsulfanylimidazo[1,2-d][1,2,4]triazine

8-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylsulfanylimidazo[1,2-d][1,2,4]triazine (PubChem CID 177182464) has the molecular formula C10H12FN5S and a molecular weight of 253.31 g/mol. Its IUPAC name is 8-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylsulfanylimidazo[1,2-d][1,2,4]triazine.

Molecular Properties

Compound Name8-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylsulfanylimidazo[1,2-d][1,2,4]triazine
PubChem CID177182464
Molecular FormulaC10H12FN5S
Molecular Weight253.31 g/mol
Exact Mass253.08
IUPAC Name8-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylsulfanylimidazo[1,2-d][1,2,4]triazine
SMILESCSc1nnc(N2CC[C@@H](F)C2)c2nccn12
InChIInChI=1S/C10H12FN5S/c1-17-10-14-13-9(8-12-3-5-16(8)10)15-4-2-7(11)6-15/h3,5,7H,2,4,6H2,1H3/t7-/m1/s1
InChIKeyZTZWHSKSBJXKOW-SSDOTTSWSA-N
XLogP1.39
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-[8-(3-fluoropyrrolidin-1-yl)imidazo[1,2-d][1,2,4]triazin-5-yl]phenol
CID 177182465
8-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 115314782
1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-amine;dihydrochloride
CID 90187537
3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 165432242
8-bromo-5-(3-methylpyrrolidin-1-yl)imidazo[1,2-c]pyrimidine
CID 157322823
7-chloro-8-methyl-5-methylsulfanylimidazo[1,2-c]pyrimidine
CID 126739563
3-(chloromethyl)-2-(3-fluoropyrrolidin-1-yl)pyridine
CID 90407888
7-amino-5-methylsulfanylimidazo[1,2-c]pyrimidine-8-carboxamide
CID 155680574
N-benzyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine
CID 167971004
N-methyl-8-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyrazin-6-amine
CID 80797840
[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165435128
3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 94897001

Frequently Asked Questions

What is the IUPAC name of 8-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylsulfanylimidazo[1,2-d][1,2,4]triazine?
The IUPAC name of 8-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylsulfanylimidazo[1,2-d][1,2,4]triazine (CID 177182464) is 8-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylsulfanylimidazo[1,2-d][1,2,4]triazine.
What is the SMILES notation for 8-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylsulfanylimidazo[1,2-d][1,2,4]triazine?
The canonical SMILES for 8-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylsulfanylimidazo[1,2-d][1,2,4]triazine is CSc1nnc(N2CC[C@@H](F)C2)c2nccn12.
What is the InChIKey of 8-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylsulfanylimidazo[1,2-d][1,2,4]triazine?
The InChIKey is ZTZWHSKSBJXKOW-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12FN5S/c1-17-10-14-13-9(8-12-3-5-16(8)10)15-4-2-7(11)6-15/h3,5,7H,2,4,6H2,1H3/t7-/m1/s1.
What are the key properties of 8-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylsulfanylimidazo[1,2-d][1,2,4]triazine?
8-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylsulfanylimidazo[1,2-d][1,2,4]triazine has a molecular weight of 253.31 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylsulfanylimidazo[1,2-d][1,2,4]triazine is sourced from PubChem (CID 177182464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).