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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).