3-N-(2,6-dimethoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

C14H15N7O2 — CID 12052666

IUPAC3-N-(2,6-dimethoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
SMILESCOc1ccc(Nc2nc(N)n(-c3ccccn3)n2)c(OC)n1
InChIInChI=1S/C14H15N7O2/c1-22-11-7-6-9(12(18-11)23-2)17-14-19-13(15)21(20-14)10-5-3-4-8-16-10/h3-8H,1-2H3,(H3,15,17,19,20)
InChIKeyDVUZQNHNSAYIGY-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.40
Rot. Bonds5

About 3-N-(2,6-dimethoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

3-N-(2,6-dimethoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (PubChem CID 12052666) has the molecular formula C14H15N7O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 3-N-(2,6-dimethoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(2,6-dimethoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
PubChem CID12052666
Molecular FormulaC14H15N7O2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC Name3-N-(2,6-dimethoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
SMILESCOc1ccc(Nc2nc(N)n(-c3ccccn3)n2)c(OC)n1
InChIInChI=1S/C14H15N7O2/c1-22-11-7-6-9(12(18-11)23-2)17-14-19-13(15)21(20-14)10-5-3-4-8-16-10/h3-8H,1-2H3,(H3,15,17,19,20)
InChIKeyDVUZQNHNSAYIGY-UHFFFAOYSA-N
XLogP1.40
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2,6-dimethoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(2,6-dimethoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (CID 12052666) is 3-N-(2,6-dimethoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(2,6-dimethoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(2,6-dimethoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is COc1ccc(Nc2nc(N)n(-c3ccccn3)n2)c(OC)n1.
What is the InChIKey of 3-N-(2,6-dimethoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?
The InChIKey is DVUZQNHNSAYIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2/c1-22-11-7-6-9(12(18-11)23-2)17-14-19-13(15)21(20-14)10-5-3-4-8-16-10/h3-8H,1-2H3,(H3,15,17,19,20).
What are the key properties of 3-N-(2,6-dimethoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?
3-N-(2,6-dimethoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine has a molecular weight of 313.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,6-dimethoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 12052666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).