3-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine

C13H10F3N7 — CID 12052661

IUPAC3-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine
SMILESNc1nc(Nc2cccnc2)nn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H10F3N7/c14-13(15,16)8-3-4-10(19-6-8)23-11(17)21-12(22-23)20-9-2-1-5-18-7-9/h1-7H,(H3,17,20,21,22)
InChIKeySPNZDYCCLLBNSK-UHFFFAOYSA-N
MW321.27 g/mol
LogP2.40
Rot. Bonds3

About 3-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine

3-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine (PubChem CID 12052661) has the molecular formula C13H10F3N7 and a molecular weight of 321.27 g/mol. Its IUPAC name is 3-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine
PubChem CID12052661
Molecular FormulaC13H10F3N7
Molecular Weight321.27 g/mol
Exact Mass321.09
IUPAC Name3-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine
SMILESNc1nc(Nc2cccnc2)nn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H10F3N7/c14-13(15,16)8-3-4-10(19-6-8)23-11(17)21-12(22-23)20-9-2-1-5-18-7-9/h1-7H,(H3,17,20,21,22)
InChIKeySPNZDYCCLLBNSK-UHFFFAOYSA-N
XLogP2.40
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine 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 3-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine (CID 12052661) is 3-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine is Nc1nc(Nc2cccnc2)nn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 3-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine?
The InChIKey is SPNZDYCCLLBNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N7/c14-13(15,16)8-3-4-10(19-6-8)23-11(17)21-12(22-23)20-9-2-1-5-18-7-9/h1-7H,(H3,17,20,21,22).
What are the key properties of 3-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine?
3-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine has a molecular weight of 321.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-pyridin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 12052661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).