5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]pyridin-2-amine

C13H12N6O — CID 166069028

IUPAC5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]pyridin-2-amine
SMILESCn1cnc(-c2cc(Oc3ccc(N)nc3)ccn2)n1
InChIInChI=1S/C13H12N6O/c1-19-8-17-13(18-19)11-6-9(4-5-15-11)20-10-2-3-12(14)16-7-10/h2-8H,1H3,(H2,14,16)
InChIKeyMZPQYHADTYGFAY-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.65
Rot. Bonds3

About 5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]pyridin-2-amine

5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]pyridin-2-amine (PubChem CID 166069028) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]pyridin-2-amine.

Molecular Properties

Compound Name5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]pyridin-2-amine
PubChem CID166069028
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]pyridin-2-amine
SMILESCn1cnc(-c2cc(Oc3ccc(N)nc3)ccn2)n1
InChIInChI=1S/C13H12N6O/c1-19-8-17-13(18-19)11-6-9(4-5-15-11)20-10-2-3-12(14)16-7-10/h2-8H,1H3,(H2,14,16)
InChIKeyMZPQYHADTYGFAY-UHFFFAOYSA-N
XLogP1.65
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]pyridin-2-amine?
The IUPAC name of 5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]pyridin-2-amine (CID 166069028) is 5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]pyridin-2-amine.
What is the SMILES notation for 5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]pyridin-2-amine?
The canonical SMILES for 5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]pyridin-2-amine is Cn1cnc(-c2cc(Oc3ccc(N)nc3)ccn2)n1.
What is the InChIKey of 5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]pyridin-2-amine?
The InChIKey is MZPQYHADTYGFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-19-8-17-13(18-19)11-6-9(4-5-15-11)20-10-2-3-12(14)16-7-10/h2-8H,1H3,(H2,14,16).
What are the key properties of 5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]pyridin-2-amine?
5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]pyridin-2-amine has a molecular weight of 268.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]pyridin-2-amine is sourced from PubChem (CID 166069028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).