2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7-methyl-6-(4,4,4-trifluorobutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C16H15ClF4N4O — CID 178114303

IUPAC2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7-methyl-6-(4,4,4-trifluorobutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1c(CCCC(F)(F)F)c(F)c2c(NCc3ccco3)nc(Cl)nn12
InChIInChI=1S/C16H15ClF4N4O/c1-9-11(5-2-6-16(19,20)21)12(18)13-14(23-15(17)24-25(9)13)22-8-10-4-3-7-26-10/h3-4,7H,2,5-6,8H2,1H3,(H,22,23,24)
InChIKeyDIHQIWFDMFQQBO-UHFFFAOYSA-N
MW390.77 g/mol
LogP4.92
Rot. Bonds6

About 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7-methyl-6-(4,4,4-trifluorobutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7-methyl-6-(4,4,4-trifluorobutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 178114303) has the molecular formula C16H15ClF4N4O and a molecular weight of 390.77 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7-methyl-6-(4,4,4-trifluorobutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7-methyl-6-(4,4,4-trifluorobutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID178114303
Molecular FormulaC16H15ClF4N4O
Molecular Weight390.77 g/mol
Exact Mass390.09
IUPAC Name2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7-methyl-6-(4,4,4-trifluorobutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1c(CCCC(F)(F)F)c(F)c2c(NCc3ccco3)nc(Cl)nn12
InChIInChI=1S/C16H15ClF4N4O/c1-9-11(5-2-6-16(19,20)21)12(18)13-14(23-15(17)24-25(9)13)22-8-10-4-3-7-26-10/h3-4,7H,2,5-6,8H2,1H3,(H,22,23,24)
InChIKeyDIHQIWFDMFQQBO-UHFFFAOYSA-N
XLogP4.92
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.77
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7-methyl-6-(4,4,4-trifluorobutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Related Compounds

7-bromo-2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-[4-(trifluoromethoxy)butyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 178114304
2,7-dichloro-5-fluoro-N-(thiophen-2-ylmethyl)-6-(4,4,4-trifluorobutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 178114135
6-bromo-2-chloro-N-(furan-2-ylmethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 178114373
6-[(1R,2S)-2-amino-4,4-difluorocyclohexyl]-2,7-dichloro-N-(furan-2-ylmethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 178114343
7-bromo-2-chloro-N-(furan-2-ylmethyl)-5-methyl-6-[4-(trifluoromethyl)cyclohex-3-en-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 178114420
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
7-bromo-2-chloro-5-fluoro-6-(3-fluoropropyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 178114155
2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine
CID 134481083
2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-[2-(methylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 164865792
2,7-dichloro-5-fluoro-6-[3-(1-fluorocyclopropyl)propyl]-N-(thiophen-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 178114133
2-chloro-5-[(cyclohexylamino)-fluoromethyl]-N-(furan-2-ylmethyl)-7-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 170644513
2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
CID 171561832

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7-methyl-6-(4,4,4-trifluorobutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7-methyl-6-(4,4,4-trifluorobutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 178114303) is 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7-methyl-6-(4,4,4-trifluorobutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7-methyl-6-(4,4,4-trifluorobutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7-methyl-6-(4,4,4-trifluorobutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1c(CCCC(F)(F)F)c(F)c2c(NCc3ccco3)nc(Cl)nn12.
What is the InChIKey of 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7-methyl-6-(4,4,4-trifluorobutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is DIHQIWFDMFQQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF4N4O/c1-9-11(5-2-6-16(19,20)21)12(18)13-14(23-15(17)24-25(9)13)22-8-10-4-3-7-26-10/h3-4,7H,2,5-6,8H2,1H3,(H,22,23,24).
What are the key properties of 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7-methyl-6-(4,4,4-trifluorobutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7-methyl-6-(4,4,4-trifluorobutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 390.77 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7-methyl-6-(4,4,4-trifluorobutyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 178114303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).