3-[methyl-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propanenitrile

C10H9F3N6 — CID 133370491

IUPAC3-[methyl-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propanenitrile
SMILESCN(CCC#N)c1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C10H9F3N6/c1-18(4-2-3-14)8-5-7(10(11,12)13)17-9-15-6-16-19(8)9/h5-6H,2,4H2,1H3
InChIKeyAPCNTKFRWWXATE-UHFFFAOYSA-N
MW270.22 g/mol
LogP1.49
Rot. Bonds3

About 3-[methyl-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propanenitrile

3-[methyl-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propanenitrile (PubChem CID 133370491) has the molecular formula C10H9F3N6 and a molecular weight of 270.22 g/mol. Its IUPAC name is 3-[methyl-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propanenitrile
PubChem CID133370491
Molecular FormulaC10H9F3N6
Molecular Weight270.22 g/mol
Exact Mass270.08
IUPAC Name3-[methyl-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propanenitrile
SMILESCN(CCC#N)c1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C10H9F3N6/c1-18(4-2-3-14)8-5-7(10(11,12)13)17-9-15-6-16-19(8)9/h5-6H,2,4H2,1H3
InChIKeyAPCNTKFRWWXATE-UHFFFAOYSA-N
XLogP1.49
TPSA70.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyclopropylethyl)-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133398525
N-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133439168
N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133460334
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 95580694
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]propanenitrile
CID 102918635
N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 62592638
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 78898466
3-[methyl-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanenitrile
CID 133370478
3-(N-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)anilino)propanenitrile
CID 102918258
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133356577
methyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
CID 62005412
N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylethane-1,2-diamine
CID 55090908

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propanenitrile?
The IUPAC name of 3-[methyl-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propanenitrile (CID 133370491) is 3-[methyl-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propanenitrile.
What is the SMILES notation for 3-[methyl-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propanenitrile?
The canonical SMILES for 3-[methyl-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propanenitrile is CN(CCC#N)c1cc(C(F)(F)F)nc2ncnn12.
What is the InChIKey of 3-[methyl-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propanenitrile?
The InChIKey is APCNTKFRWWXATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N6/c1-18(4-2-3-14)8-5-7(10(11,12)13)17-9-15-6-16-19(8)9/h5-6H,2,4H2,1H3.
What are the key properties of 3-[methyl-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propanenitrile?
3-[methyl-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propanenitrile has a molecular weight of 270.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propanenitrile is sourced from PubChem (CID 133370491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).