N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H12F3N5O — CID 138997018

IUPACN-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1occc1CN(C)c1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C13H12F3N5O/c1-8-9(3-4-22-8)6-20(2)11-5-10(13(14,15)16)19-12-17-7-18-21(11)12/h3-5,7H,6H2,1-2H3
InChIKeyJKCFQYZCVWJVIG-UHFFFAOYSA-N
MW311.27 g/mol
LogP2.68
Rot. Bonds3

About N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 138997018) has the molecular formula C13H12F3N5O and a molecular weight of 311.27 g/mol. Its IUPAC name is N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID138997018
Molecular FormulaC13H12F3N5O
Molecular Weight311.27 g/mol
Exact Mass311.10
IUPAC NameN-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1occc1CN(C)c1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C13H12F3N5O/c1-8-9(3-4-22-8)6-20(2)11-5-10(13(14,15)16)19-12-17-7-18-21(11)12/h3-5,7H,6H2,1-2H3
InChIKeyJKCFQYZCVWJVIG-UHFFFAOYSA-N
XLogP2.68
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-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 N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 138997018) is N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1occc1CN(C)c1cc(C(F)(F)F)nc2ncnn12.
What is the InChIKey of N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JKCFQYZCVWJVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O/c1-8-9(3-4-22-8)6-20(2)11-5-10(13(14,15)16)19-12-17-7-18-21(11)12/h3-5,7H,6H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 311.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 138997018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).