6-methoxy-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine

C14H13N5O2 — CID 115321174

IUPAC6-methoxy-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine
SMILESCOc1ccc(N)c(Oc2ncn(-c3ccccc3)n2)n1
InChIInChI=1S/C14H13N5O2/c1-20-12-8-7-11(15)13(17-12)21-14-16-9-19(18-14)10-5-3-2-4-6-10/h2-9H,15H2,1H3
InChIKeyPDYFCFSZZMJYKB-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.05
Rot. Bonds4

About 6-methoxy-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine

6-methoxy-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine (PubChem CID 115321174) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 6-methoxy-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine
PubChem CID115321174
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name6-methoxy-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine
SMILESCOc1ccc(N)c(Oc2ncn(-c3ccccc3)n2)n1
InChIInChI=1S/C14H13N5O2/c1-20-12-8-7-11(15)13(17-12)21-14-16-9-19(18-14)10-5-3-2-4-6-10/h2-9H,15H2,1H3
InChIKeyPDYFCFSZZMJYKB-UHFFFAOYSA-N
XLogP2.05
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine?
The IUPAC name of 6-methoxy-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine (CID 115321174) is 6-methoxy-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine.
What is the SMILES notation for 6-methoxy-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine?
The canonical SMILES for 6-methoxy-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine is COc1ccc(N)c(Oc2ncn(-c3ccccc3)n2)n1.
What is the InChIKey of 6-methoxy-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine?
The InChIKey is PDYFCFSZZMJYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-20-12-8-7-11(15)13(17-12)21-14-16-9-19(18-14)10-5-3-2-4-6-10/h2-9H,15H2,1H3.
What are the key properties of 6-methoxy-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine?
6-methoxy-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine has a molecular weight of 283.29 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine is sourced from PubChem (CID 115321174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).