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

C13H13N7O — CID 12052664

IUPAC3-N-(2-methoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
SMILESCOc1ncccc1Nc1nc(N)n(-c2ccccn2)n1
InChIInChI=1S/C13H13N7O/c1-21-11-9(5-4-8-16-11)17-13-18-12(14)20(19-13)10-6-2-3-7-15-10/h2-8H,1H3,(H3,14,17,18,19)
InChIKeyQFXXHZQYAOOBKP-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.39
Rot. Bonds4

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

3-N-(2-methoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (PubChem CID 12052664) has the molecular formula C13H13N7O and a molecular weight of 283.30 g/mol. Its IUPAC name is 3-N-(2-methoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(2-methoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
PubChem CID12052664
Molecular FormulaC13H13N7O
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name3-N-(2-methoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
SMILESCOc1ncccc1Nc1nc(N)n(-c2ccccn2)n1
InChIInChI=1S/C13H13N7O/c1-21-11-9(5-4-8-16-11)17-13-18-12(14)20(19-13)10-6-2-3-7-15-10/h2-8H,1H3,(H3,14,17,18,19)
InChIKeyQFXXHZQYAOOBKP-UHFFFAOYSA-N
XLogP1.39
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(2-methoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (CID 12052664) is 3-N-(2-methoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(2-methoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(2-methoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is COc1ncccc1Nc1nc(N)n(-c2ccccn2)n1.
What is the InChIKey of 3-N-(2-methoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?
The InChIKey is QFXXHZQYAOOBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O/c1-21-11-9(5-4-8-16-11)17-13-18-12(14)20(19-13)10-6-2-3-7-15-10/h2-8H,1H3,(H3,14,17,18,19).
What are the key properties of 3-N-(2-methoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?
3-N-(2-methoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine has a molecular weight of 283.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 12052664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).