N-(3,5-dimethoxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine

C15H15N5O2 — CID 134589915

IUPACN-(3,5-dimethoxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine
SMILESCOc1cc(Nc2ncn(-c3cccnc3)n2)cc(OC)c1
InChIInChI=1S/C15H15N5O2/c1-21-13-6-11(7-14(8-13)22-2)18-15-17-10-20(19-15)12-4-3-5-16-9-12/h3-10H,1-2H3,(H,18,19)
InChIKeyWFAODGFNPUEMRP-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.42
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine

N-(3,5-dimethoxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine (PubChem CID 134589915) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine
PubChem CID134589915
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-(3,5-dimethoxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine
SMILESCOc1cc(Nc2ncn(-c3cccnc3)n2)cc(OC)c1
InChIInChI=1S/C15H15N5O2/c1-21-13-6-11(7-14(8-13)22-2)18-15-17-10-20(19-15)12-4-3-5-16-9-12/h3-10H,1-2H3,(H,18,19)
InChIKeyWFAODGFNPUEMRP-UHFFFAOYSA-N
XLogP2.42
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3,5-dimethoxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-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-(3,5-dimethoxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine (CID 134589915) is N-(3,5-dimethoxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine is COc1cc(Nc2ncn(-c3cccnc3)n2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine?
The InChIKey is WFAODGFNPUEMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-21-13-6-11(7-14(8-13)22-2)18-15-17-10-20(19-15)12-4-3-5-16-9-12/h3-10H,1-2H3,(H,18,19).
What are the key properties of N-(3,5-dimethoxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine?
N-(3,5-dimethoxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine has a molecular weight of 297.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 134589915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).