7-(cyclopenten-1-yl)-5-fluoro-N-(4-methylsulfonylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

C18H23FN4O2S — CID 169118039

IUPAC7-(cyclopenten-1-yl)-5-fluoro-N-(4-methylsulfonylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCS(=O)(=O)C1CCC(Nc2ncc3c(F)cc(C4=CCCC4)n3n2)CC1
InChIInChI=1S/C18H23FN4O2S/c1-26(24,25)14-8-6-13(7-9-14)21-18-20-11-17-15(19)10-16(23(17)22-18)12-4-2-3-5-12/h4,10-11,13-14H,2-3,5-9H2,1H3,(H,21,22)
InChIKeyYGCBQYLEPPIPNN-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.20
Rot. Bonds4

About 7-(cyclopenten-1-yl)-5-fluoro-N-(4-methylsulfonylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

7-(cyclopenten-1-yl)-5-fluoro-N-(4-methylsulfonylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 169118039) has the molecular formula C18H23FN4O2S and a molecular weight of 378.47 g/mol. Its IUPAC name is 7-(cyclopenten-1-yl)-5-fluoro-N-(4-methylsulfonylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name7-(cyclopenten-1-yl)-5-fluoro-N-(4-methylsulfonylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID169118039
Molecular FormulaC18H23FN4O2S
Molecular Weight378.47 g/mol
Exact Mass378.15
IUPAC Name7-(cyclopenten-1-yl)-5-fluoro-N-(4-methylsulfonylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCS(=O)(=O)C1CCC(Nc2ncc3c(F)cc(C4=CCCC4)n3n2)CC1
InChIInChI=1S/C18H23FN4O2S/c1-26(24,25)14-8-6-13(7-9-14)21-18-20-11-17-15(19)10-16(23(17)22-18)12-4-2-3-5-12/h4,10-11,13-14H,2-3,5-9H2,1H3,(H,21,22)
InChIKeyYGCBQYLEPPIPNN-UHFFFAOYSA-N
XLogP3.20
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopenten-1-yl)-5-fluoro-N-(4-methylsulfonylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 7-(cyclopenten-1-yl)-5-fluoro-N-(4-methylsulfonylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 169118039) is 7-(cyclopenten-1-yl)-5-fluoro-N-(4-methylsulfonylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 7-(cyclopenten-1-yl)-5-fluoro-N-(4-methylsulfonylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 7-(cyclopenten-1-yl)-5-fluoro-N-(4-methylsulfonylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is CS(=O)(=O)C1CCC(Nc2ncc3c(F)cc(C4=CCCC4)n3n2)CC1.
What is the InChIKey of 7-(cyclopenten-1-yl)-5-fluoro-N-(4-methylsulfonylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is YGCBQYLEPPIPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2S/c1-26(24,25)14-8-6-13(7-9-14)21-18-20-11-17-15(19)10-16(23(17)22-18)12-4-2-3-5-12/h4,10-11,13-14H,2-3,5-9H2,1H3,(H,21,22).
What are the key properties of 7-(cyclopenten-1-yl)-5-fluoro-N-(4-methylsulfonylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
7-(cyclopenten-1-yl)-5-fluoro-N-(4-methylsulfonylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 378.47 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopenten-1-yl)-5-fluoro-N-(4-methylsulfonylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 169118039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).