4,7-dichloro-2-(difluoromethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine

C8H5Cl2F2N3 — CID 163275475

IUPAC4,7-dichloro-2-(difluoromethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine
SMILESCc1cc(Cl)n2nc(C(F)F)nc(Cl)c12
InChIInChI=1S/C8H5Cl2F2N3/c1-3-2-4(9)15-5(3)6(10)13-8(14-15)7(11)12/h2,7H,1H3
InChIKeyZPTWOOBELQOLNB-UHFFFAOYSA-N
MW252.05 g/mol
LogP3.28
Rot. Bonds1

About 4,7-dichloro-2-(difluoromethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine

4,7-dichloro-2-(difluoromethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 163275475) has the molecular formula C8H5Cl2F2N3 and a molecular weight of 252.05 g/mol. Its IUPAC name is 4,7-dichloro-2-(difluoromethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4,7-dichloro-2-(difluoromethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID163275475
Molecular FormulaC8H5Cl2F2N3
Molecular Weight252.05 g/mol
Exact Mass250.98
IUPAC Name4,7-dichloro-2-(difluoromethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine
SMILESCc1cc(Cl)n2nc(C(F)F)nc(Cl)c12
InChIInChI=1S/C8H5Cl2F2N3/c1-3-2-4(9)15-5(3)6(10)13-8(14-15)7(11)12/h2,7H,1H3
InChIKeyZPTWOOBELQOLNB-UHFFFAOYSA-N
XLogP3.28
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.05
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2,4,5-trimethylpyrrolo[2,1-f][1,2,4]triazine
CID 163275399
7-chloro-2-(difluoromethyl)-5-methyl-4-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
CID 164757964
4,6-dichloro-2-(difluoromethyl)-5-methylpyrimidine
CID 89394919
4-chloro-2-(difluoromethyl)-6-methylpyrimidine
CID 146082559
5-chloro-2-(difluoromethyl)-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 134457762
4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinazoline
CID 114589887
S-[[2-(7-chloro-5-methyl-2-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)-2-azaspiro[3.3]heptan-6-yl]-methylamino]thiohydroxylamine
CID 163274737
5-chloro-8-fluoro-6-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 134452486
2-bromo-6-chloro-3-(difluoromethyl)-5-methylpyridine
CID 119017908
2-chloro-3-(difluoromethyl)-6-iodo-5-methylpyridine
CID 119010207
7-chloro-2,6-dimethylpyrazolo[1,5-a]pyrimidin-5-amine
CID 58206890
[6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine
CID 130074108

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-2-(difluoromethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 4,7-dichloro-2-(difluoromethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine (CID 163275475) is 4,7-dichloro-2-(difluoromethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 4,7-dichloro-2-(difluoromethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 4,7-dichloro-2-(difluoromethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine is Cc1cc(Cl)n2nc(C(F)F)nc(Cl)c12.
What is the InChIKey of 4,7-dichloro-2-(difluoromethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is ZPTWOOBELQOLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F2N3/c1-3-2-4(9)15-5(3)6(10)13-8(14-15)7(11)12/h2,7H,1H3.
What are the key properties of 4,7-dichloro-2-(difluoromethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine?
4,7-dichloro-2-(difluoromethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 252.05 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-2-(difluoromethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 163275475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).