5-methoxy-2-pyridin-2-yl-1,2,4-triazol-3-amine

C8H9N5O — CID 79872887

IUPAC5-methoxy-2-pyridin-2-yl-1,2,4-triazol-3-amine
SMILESCOc1nc(N)n(-c2ccccn2)n1
InChIInChI=1S/C8H9N5O/c1-14-8-11-7(9)13(12-8)6-4-2-3-5-10-6/h2-5H,1H3,(H2,9,11,12)
InChIKeyZIRSRTBDNJPLAH-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.25
Rot. Bonds2

About 5-methoxy-2-pyridin-2-yl-1,2,4-triazol-3-amine

5-methoxy-2-pyridin-2-yl-1,2,4-triazol-3-amine (PubChem CID 79872887) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-methoxy-2-pyridin-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-methoxy-2-pyridin-2-yl-1,2,4-triazol-3-amine
PubChem CID79872887
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name5-methoxy-2-pyridin-2-yl-1,2,4-triazol-3-amine
SMILESCOc1nc(N)n(-c2ccccn2)n1
InChIInChI=1S/C8H9N5O/c1-14-8-11-7(9)13(12-8)6-4-2-3-5-10-6/h2-5H,1H3,(H2,9,11,12)
InChIKeyZIRSRTBDNJPLAH-UHFFFAOYSA-N
XLogP0.25
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-2-phenyl-1,2,4-triazol-3-amine
CID 79873453
3-N-(4-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976428
3-N-(2-methoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 12052664
3-N-(2,6-dimethoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 12052666
3-N-(5-chloro-2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976622
5-bromo-1-pyridin-2-yl-1,2,4-triazol-3-amine
CID 103098897
3-N-(2-chlorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 56595688
ethane;2-(5-methylpyrazol-1-yl)pyridine
CID 90883598
3-N-[3,4-bis(2-methoxyethoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976253
5-[(3,4-dimethoxyphenyl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-amine
CID 56962741
3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976216
3-N-(3-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976353

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-pyridin-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 5-methoxy-2-pyridin-2-yl-1,2,4-triazol-3-amine (CID 79872887) is 5-methoxy-2-pyridin-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-methoxy-2-pyridin-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-methoxy-2-pyridin-2-yl-1,2,4-triazol-3-amine is COc1nc(N)n(-c2ccccn2)n1.
What is the InChIKey of 5-methoxy-2-pyridin-2-yl-1,2,4-triazol-3-amine?
The InChIKey is ZIRSRTBDNJPLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-14-8-11-7(9)13(12-8)6-4-2-3-5-10-6/h2-5H,1H3,(H2,9,11,12).
What are the key properties of 5-methoxy-2-pyridin-2-yl-1,2,4-triazol-3-amine?
5-methoxy-2-pyridin-2-yl-1,2,4-triazol-3-amine has a molecular weight of 191.19 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-pyridin-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 79872887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).