2-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[4-methyl-2-(trifluoromethoxy)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine

C20H23F3N6O — CID 171852474

IUPAC2-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[4-methyl-2-(trifluoromethoxy)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine
SMILESCc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)n3nc(C)cc23)c(OC(F)(F)F)c1
InChIInChI=1S/C20H23F3N6O/c1-12-6-7-15(17(9-12)30-20(21,22)23)18-16-10-13(2)27-29(16)19(26-25-18)24-14-5-4-8-28(3)11-14/h6-7,9-10,14H,4-5,8,11H2,1-3H3,(H,24,26)/t14-/m1/s1
InChIKeyRYRVYAFDJRXHPT-CQSZACIVSA-N
MW420.44 g/mol
LogP3.81
Rot. Bonds4

About 2-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[4-methyl-2-(trifluoromethoxy)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine

2-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[4-methyl-2-(trifluoromethoxy)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine (PubChem CID 171852474) has the molecular formula C20H23F3N6O and a molecular weight of 420.44 g/mol. Its IUPAC name is 2-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[4-methyl-2-(trifluoromethoxy)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine.

Molecular Properties

Compound Name2-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[4-methyl-2-(trifluoromethoxy)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine
PubChem CID171852474
Molecular FormulaC20H23F3N6O
Molecular Weight420.44 g/mol
Exact Mass420.19
IUPAC Name2-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[4-methyl-2-(trifluoromethoxy)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine
SMILESCc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)n3nc(C)cc23)c(OC(F)(F)F)c1
InChIInChI=1S/C20H23F3N6O/c1-12-6-7-15(17(9-12)30-20(21,22)23)18-16-10-13(2)27-29(16)19(26-25-18)24-14-5-4-8-28(3)11-14/h6-7,9-10,14H,4-5,8,11H2,1-3H3,(H,24,26)/t14-/m1/s1
InChIKeyRYRVYAFDJRXHPT-CQSZACIVSA-N
XLogP3.81
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[4-methyl-2-(trifluoromethoxy)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-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 2-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[4-methyl-2-(trifluoromethoxy)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine?
The IUPAC name of 2-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[4-methyl-2-(trifluoromethoxy)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine (CID 171852474) is 2-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[4-methyl-2-(trifluoromethoxy)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine.
What is the SMILES notation for 2-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[4-methyl-2-(trifluoromethoxy)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine?
The canonical SMILES for 2-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[4-methyl-2-(trifluoromethoxy)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine is Cc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)n3nc(C)cc23)c(OC(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[4-methyl-2-(trifluoromethoxy)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine?
The InChIKey is RYRVYAFDJRXHPT-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23F3N6O/c1-12-6-7-15(17(9-12)30-20(21,22)23)18-16-10-13(2)27-29(16)19(26-25-18)24-14-5-4-8-28(3)11-14/h6-7,9-10,14H,4-5,8,11H2,1-3H3,(H,24,26)/t14-/m1/s1.
What are the key properties of 2-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[4-methyl-2-(trifluoromethoxy)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine?
2-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[4-methyl-2-(trifluoromethoxy)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine has a molecular weight of 420.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3R)-1-methylpiperidin-3-yl]-4-[4-methyl-2-(trifluoromethoxy)phenyl]pyrazolo[1,5-d][1,2,4]triazin-7-amine is sourced from PubChem (CID 171852474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).