6-bromo-2-chloro-N-(furan-2-ylmethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C12H10BrClN4O — CID 178114373

IUPAC6-bromo-2-chloro-N-(furan-2-ylmethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1c(Br)cn2nc(Cl)nc(NCc3ccco3)c12
InChIInChI=1S/C12H10BrClN4O/c1-7-9(13)6-18-10(7)11(16-12(14)17-18)15-5-8-3-2-4-19-8/h2-4,6H,5H2,1H3,(H,15,16,17)
InChIKeyGKIOZPZNWNQOQA-UHFFFAOYSA-N
MW341.60 g/mol
LogP3.66
Rot. Bonds3

About 6-bromo-2-chloro-N-(furan-2-ylmethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine

6-bromo-2-chloro-N-(furan-2-ylmethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 178114373) has the molecular formula C12H10BrClN4O and a molecular weight of 341.60 g/mol. Its IUPAC name is 6-bromo-2-chloro-N-(furan-2-ylmethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name6-bromo-2-chloro-N-(furan-2-ylmethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID178114373
Molecular FormulaC12H10BrClN4O
Molecular Weight341.60 g/mol
Exact Mass339.97
IUPAC Name6-bromo-2-chloro-N-(furan-2-ylmethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1c(Br)cn2nc(Cl)nc(NCc3ccco3)c12
InChIInChI=1S/C12H10BrClN4O/c1-7-9(13)6-18-10(7)11(16-12(14)17-18)15-5-8-3-2-4-19-8/h2-4,6H,5H2,1H3,(H,15,16,17)
InChIKeyGKIOZPZNWNQOQA-UHFFFAOYSA-N
XLogP3.66
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.60
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 178114610
tert-butyl N-[6-[2-chloro-4-(furan-2-ylmethylamino)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]-3-(trifluoromethyl)cyclohex-3-en-1-yl]carbamate
CID 178114448
tert-butyl N-[6-[2-chloro-4-(furan-2-ylmethylamino)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]-3-(difluoromethyl)cyclohex-3-en-1-yl]carbamate
CID 178114384
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-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
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
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
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
2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine
CID 134481083
2-chloro-5-[(cyclohexylamino)-fluoromethyl]-N-(furan-2-ylmethyl)-7-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 170644513
11-chloro-N-(furan-2-ylmethyl)-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine
CID 89452242
6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574719

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-N-(furan-2-ylmethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 6-bromo-2-chloro-N-(furan-2-ylmethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 178114373) is 6-bromo-2-chloro-N-(furan-2-ylmethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 6-bromo-2-chloro-N-(furan-2-ylmethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 6-bromo-2-chloro-N-(furan-2-ylmethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1c(Br)cn2nc(Cl)nc(NCc3ccco3)c12.
What is the InChIKey of 6-bromo-2-chloro-N-(furan-2-ylmethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is GKIOZPZNWNQOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN4O/c1-7-9(13)6-18-10(7)11(16-12(14)17-18)15-5-8-3-2-4-19-8/h2-4,6H,5H2,1H3,(H,15,16,17).
What are the key properties of 6-bromo-2-chloro-N-(furan-2-ylmethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
6-bromo-2-chloro-N-(furan-2-ylmethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 341.60 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-N-(furan-2-ylmethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 178114373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).