2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-(trifluoromethyl)aniline

C13H10F3N5 — CID 66269737

IUPAC2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-(trifluoromethyl)aniline
SMILESCc1cc2nnc(-c3cc(C(F)(F)F)ccc3N)n2cn1
InChIInChI=1S/C13H10F3N5/c1-7-4-11-19-20-12(21(11)6-18-7)9-5-8(13(14,15)16)2-3-10(9)17/h2-6H,17H2,1H3
InChIKeyBTWTUIFWXMBTEU-UHFFFAOYSA-N
MW293.25 g/mol
LogP2.70
Rot. Bonds1

About 2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-(trifluoromethyl)aniline

2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-(trifluoromethyl)aniline (PubChem CID 66269737) has the molecular formula C13H10F3N5 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-(trifluoromethyl)aniline
PubChem CID66269737
Molecular FormulaC13H10F3N5
Molecular Weight293.25 g/mol
Exact Mass293.09
IUPAC Name2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-(trifluoromethyl)aniline
SMILESCc1cc2nnc(-c3cc(C(F)(F)F)ccc3N)n2cn1
InChIInChI=1S/C13H10F3N5/c1-7-4-11-19-20-12(21(11)6-18-7)9-5-8(13(14,15)16)2-3-10(9)17/h2-6H,17H2,1H3
InChIKeyBTWTUIFWXMBTEU-UHFFFAOYSA-N
XLogP2.70
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-(trifluoromethyl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

4-methoxy-2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 115411712
2,4-difluoro-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 62042603
2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)pyridin-3-amine
CID 113447833
2-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 107813656
7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327083
1,1,1-trifluoro-2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine
CID 79798485
2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-(trifluoromethyl)aniline
CID 114351996
4-methyl-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiophen-2-amine
CID 62043030
4-methyl-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 62793660
[4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-pyridinyl]methanamine
CID 114324856
3,6-dimethyl-2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)benzoic acid
CID 103431018
2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)aniline
CID 167459732

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-(trifluoromethyl)aniline (CID 66269737) is 2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-(trifluoromethyl)aniline is Cc1cc2nnc(-c3cc(C(F)(F)F)ccc3N)n2cn1.
What is the InChIKey of 2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-(trifluoromethyl)aniline?
The InChIKey is BTWTUIFWXMBTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5/c1-7-4-11-19-20-12(21(11)6-18-7)9-5-8(13(14,15)16)2-3-10(9)17/h2-6H,17H2,1H3.
What are the key properties of 2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-(trifluoromethyl)aniline?
2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-(trifluoromethyl)aniline has a molecular weight of 293.25 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 66269737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).