4-(1-methyl-1,2,4-triazol-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine

C11H9F3N8 — CID 171789271

IUPAC4-(1-methyl-1,2,4-triazol-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1cnc(-c2c(C(F)(F)F)nn(-c3ncccn3)c2N)n1
InChIInChI=1S/C11H9F3N8/c1-21-5-18-9(20-21)6-7(11(12,13)14)19-22(8(6)15)10-16-3-2-4-17-10/h2-5H,15H2,1H3
InChIKeyIRFXVNNKEIRBNN-UHFFFAOYSA-N
MW310.24 g/mol
LogP1.06
Rot. Bonds2

About 4-(1-methyl-1,2,4-triazol-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine

4-(1-methyl-1,2,4-triazol-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 171789271) has the molecular formula C11H9F3N8 and a molecular weight of 310.24 g/mol. Its IUPAC name is 4-(1-methyl-1,2,4-triazol-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(1-methyl-1,2,4-triazol-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID171789271
Molecular FormulaC11H9F3N8
Molecular Weight310.24 g/mol
Exact Mass310.09
IUPAC Name4-(1-methyl-1,2,4-triazol-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1cnc(-c2c(C(F)(F)F)nn(-c3ncccn3)c2N)n1
InChIInChI=1S/C11H9F3N8/c1-21-5-18-9(20-21)6-7(11(12,13)14)19-22(8(6)15)10-16-3-2-4-17-10/h2-5H,15H2,1H3
InChIKeyIRFXVNNKEIRBNN-UHFFFAOYSA-N
XLogP1.06
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(1-methyl-1,2,4-triazol-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine with MolForge

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Related Compounds

4-N-ethyl-2-N-[3-methyl-1-[2-(1-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72191205
2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 72945318
2-N-[1-[2-(1,4-dimethylimidazol-2-yl)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72190592
2-N-[1-[2-(1,5-dimethylimidazol-2-yl)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72190593
4-N-methyl-2-N-[3-methyl-1-(2-pyrimidin-2-ylpropan-2-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72190900
5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylpyrazole-3-carbonitrile
CID 72191825
3-Methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 75201523
US9932325, Example 14
CID 132244609
US9932325, Example 70
CID 132244689
US11214565, Example D-5
CID 135374362
US11214565, Example D-72
CID 140943380
US11214565, Example D-115
CID 140943543

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-1,2,4-triazol-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-(1-methyl-1,2,4-triazol-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine (CID 171789271) is 4-(1-methyl-1,2,4-triazol-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(1-methyl-1,2,4-triazol-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-(1-methyl-1,2,4-triazol-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine is Cn1cnc(-c2c(C(F)(F)F)nn(-c3ncccn3)c2N)n1.
What is the InChIKey of 4-(1-methyl-1,2,4-triazol-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is IRFXVNNKEIRBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N8/c1-21-5-18-9(20-21)6-7(11(12,13)14)19-22(8(6)15)10-16-3-2-4-17-10/h2-5H,15H2,1H3.
What are the key properties of 4-(1-methyl-1,2,4-triazol-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
4-(1-methyl-1,2,4-triazol-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 310.24 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-1,2,4-triazol-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 171789271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).