N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine

C17H12F3N7 — CID 11955437

IUPACN-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc3cnccc23)n[nH]1
InChIInChI=1S/C17H12F3N7/c1-9-22-16(27-26-9)25-15-11-6-7-21-8-13(11)23-14(24-15)10-4-2-3-5-12(10)17(18,19)20/h2-8H,1H3,(H2,22,23,24,25,26,27)
InChIKeyITLPJGPGMPDMEV-UHFFFAOYSA-N
MW371.33 g/mol
LogP3.88
Rot. Bonds3

About N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine

N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 11955437) has the molecular formula C17H12F3N7 and a molecular weight of 371.33 g/mol. Its IUPAC name is N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine
PubChem CID11955437
Molecular FormulaC17H12F3N7
Molecular Weight371.33 g/mol
Exact Mass371.11
IUPAC NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc3cnccc23)n[nH]1
InChIInChI=1S/C17H12F3N7/c1-9-22-16(27-26-9)25-15-11-6-7-21-8-13(11)23-14(24-15)10-4-2-3-5-12(10)17(18,19)20/h2-8H,1H3,(H2,22,23,24,25,26,27)
InChIKeyITLPJGPGMPDMEV-UHFFFAOYSA-N
XLogP3.88
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-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-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine (CID 11955437) is N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine is Cc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc3cnccc23)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is ITLPJGPGMPDMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N7/c1-9-22-16(27-26-9)25-15-11-6-7-21-8-13(11)23-14(24-15)10-4-2-3-5-12(10)17(18,19)20/h2-8H,1H3,(H2,22,23,24,25,26,27).
What are the key properties of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine?
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 371.33 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11955437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).