2-methyl-2-[3-methyl-4-[[7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]pyrazol-1-yl]propanenitrile

C15H14F3N7 — CID 172561229

IUPAC2-methyl-2-[3-methyl-4-[[7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]pyrazol-1-yl]propanenitrile
SMILESCc1nn(C(C)(C)C#N)cc1Nc1ncc2ccc(C(F)(F)F)n2n1
InChIInChI=1S/C15H14F3N7/c1-9-11(7-24(22-9)14(2,3)8-19)21-13-20-6-10-4-5-12(15(16,17)18)25(10)23-13/h4-7H,1-3H3,(H,21,23)
InChIKeyAZGNPVDOFOIIEG-UHFFFAOYSA-N
MW349.32 g/mol
LogP3.26
Rot. Bonds3

About 2-methyl-2-[3-methyl-4-[[7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]pyrazol-1-yl]propanenitrile

2-methyl-2-[3-methyl-4-[[7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]pyrazol-1-yl]propanenitrile (PubChem CID 172561229) has the molecular formula C15H14F3N7 and a molecular weight of 349.32 g/mol. Its IUPAC name is 2-methyl-2-[3-methyl-4-[[7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[3-methyl-4-[[7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]pyrazol-1-yl]propanenitrile
PubChem CID172561229
Molecular FormulaC15H14F3N7
Molecular Weight349.32 g/mol
Exact Mass349.13
IUPAC Name2-methyl-2-[3-methyl-4-[[7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]pyrazol-1-yl]propanenitrile
SMILESCc1nn(C(C)(C)C#N)cc1Nc1ncc2ccc(C(F)(F)F)n2n1
InChIInChI=1S/C15H14F3N7/c1-9-11(7-24(22-9)14(2,3)8-19)21-13-20-6-10-4-5-12(15(16,17)18)25(10)23-13/h4-7H,1-3H3,(H,21,23)
InChIKeyAZGNPVDOFOIIEG-UHFFFAOYSA-N
XLogP3.26
TPSA83.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-2-[3-methyl-4-[[7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]pyrazol-1-yl]propanenitrile with MolForge

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Related Compounds

2-[[1-(2-cyanopropan-2-yl)-3-methylpyrazol-4-yl]amino]-4-ethylsulfanylpyrimidine-5-carbonitrile
CID 135374424
2-[4-[(5-chloro-4-ethylsulfanylpyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 135374636
(2R)-3,3-difluoro-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 140943482
2-[4-[[5-chloro-4-[(4-methoxycyclohexyl)methoxy]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 165385697
2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanenitrile
CID 118365761
2-[4-[[4-methoxy-5-(trifluoromethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 140943584
(2R)-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]but-3-ynenitrile
CID 131994940
4-N-ethyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093259
2-[4-[(5-chloro-4-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 140943572
2-[4-[(5-cyclopropyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 135374392
2-[4-[[6-ethoxy-9-(2-trimethylsilylethoxymethyl)purin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 140943254
4-N-ethyl-2-N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093070

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-methyl-4-[[7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]pyrazol-1-yl]propanenitrile?
The IUPAC name of 2-methyl-2-[3-methyl-4-[[7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]pyrazol-1-yl]propanenitrile (CID 172561229) is 2-methyl-2-[3-methyl-4-[[7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[3-methyl-4-[[7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]pyrazol-1-yl]propanenitrile?
The canonical SMILES for 2-methyl-2-[3-methyl-4-[[7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]pyrazol-1-yl]propanenitrile is Cc1nn(C(C)(C)C#N)cc1Nc1ncc2ccc(C(F)(F)F)n2n1.
What is the InChIKey of 2-methyl-2-[3-methyl-4-[[7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]pyrazol-1-yl]propanenitrile?
The InChIKey is AZGNPVDOFOIIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N7/c1-9-11(7-24(22-9)14(2,3)8-19)21-13-20-6-10-4-5-12(15(16,17)18)25(10)23-13/h4-7H,1-3H3,(H,21,23).
What are the key properties of 2-methyl-2-[3-methyl-4-[[7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]pyrazol-1-yl]propanenitrile?
2-methyl-2-[3-methyl-4-[[7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]pyrazol-1-yl]propanenitrile has a molecular weight of 349.32 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-methyl-4-[[7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 172561229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).