4-(2,6-dimethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine

C15H15N5O2 — CID 122701953

IUPAC4-(2,6-dimethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine
SMILESCOc1cccc(OC)c1-n1c(N)nnc1-c1ccccn1
InChIInChI=1S/C15H15N5O2/c1-21-11-7-5-8-12(22-2)13(11)20-14(18-19-15(20)16)10-6-3-4-9-17-10/h3-9H,1-2H3,(H2,16,19)
InChIKeyRJNPQOKSMBIMEW-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.93
Rot. Bonds4

About 4-(2,6-dimethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine

4-(2,6-dimethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine (PubChem CID 122701953) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 4-(2,6-dimethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-(2,6-dimethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine
PubChem CID122701953
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name4-(2,6-dimethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine
SMILESCOc1cccc(OC)c1-n1c(N)nnc1-c1ccccn1
InChIInChI=1S/C15H15N5O2/c1-21-11-7-5-8-12(22-2)13(11)20-14(18-19-15(20)16)10-6-3-4-9-17-10/h3-9H,1-2H3,(H2,16,19)
InChIKeyRJNPQOKSMBIMEW-UHFFFAOYSA-N
XLogP1.93
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2,6-dimethoxyphenyl)-5-pyridin-2-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 4-(2,6-dimethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 4-(2,6-dimethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine (CID 122701953) is 4-(2,6-dimethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-(2,6-dimethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 4-(2,6-dimethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine is COc1cccc(OC)c1-n1c(N)nnc1-c1ccccn1.
What is the InChIKey of 4-(2,6-dimethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine?
The InChIKey is RJNPQOKSMBIMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-21-11-7-5-8-12(22-2)13(11)20-14(18-19-15(20)16)10-6-3-4-9-17-10/h3-9H,1-2H3,(H2,16,19).
What are the key properties of 4-(2,6-dimethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine?
4-(2,6-dimethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine has a molecular weight of 297.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 122701953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).