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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Related Compounds

n3-(2-Methoxy-phenyl)-1-pyridin-2-yl-1h-[1,2,4]triazole-3,5-diamine
CID 56595687
N-(6-methoxy-3-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 45807927
1-(2-Methoxy-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 47252864
N-(2-ethoxy-3-pyridinyl)-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 53556221
6-methoxy-N-[1-(1-phenyltetrazol-5-yl)ethyl]pyridin-3-amine
CID 71991008
6-methoxy-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]pyridin-3-amine
CID 75509458
5-Fluoro-2-[2-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyridine
CID 71101231
methyl N-[6-(1,2,4-triazol-1-yl)-2-(trifluoromethoxy)pyridin-3-yl]carbamate
CID 121278847
N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-5,6-dimethoxypyridin-2-amine
CID 134590025
5-[5-(4-Fluorophenyl)-1,2,4-triazol-1-yl]-2-methoxypyridine
CID 141098972
5-Fluoro-2-[2-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine
CID 141138647
n3-(4-Methoxyphenyl)-1-(pyridin-2-yl)-1h-1,2,4-triazole-3,5-diamine
CID 58976428

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).