5-(3-methoxy-4-pyridinyl)-2-methyl-1,2,4-triazol-3-amine

C9H11N5O — CID 105063345

IUPAC5-(3-methoxy-4-pyridinyl)-2-methyl-1,2,4-triazol-3-amine
SMILESCOc1cnccc1-c1nc(N)n(C)n1
InChIInChI=1S/C9H11N5O/c1-14-9(10)12-8(13-14)6-3-4-11-5-7(6)15-2/h3-5H,1-2H3,(H2,10,12,13)
InChIKeyZIZYVYBNASSIAX-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.47
Rot. Bonds2

About 5-(3-methoxy-4-pyridinyl)-2-methyl-1,2,4-triazol-3-amine

5-(3-methoxy-4-pyridinyl)-2-methyl-1,2,4-triazol-3-amine (PubChem CID 105063345) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 5-(3-methoxy-4-pyridinyl)-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-methoxy-4-pyridinyl)-2-methyl-1,2,4-triazol-3-amine
PubChem CID105063345
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name5-(3-methoxy-4-pyridinyl)-2-methyl-1,2,4-triazol-3-amine
SMILESCOc1cnccc1-c1nc(N)n(C)n1
InChIInChI=1S/C9H11N5O/c1-14-9(10)12-8(13-14)6-3-4-11-5-7(6)15-2/h3-5H,1-2H3,(H2,10,12,13)
InChIKeyZIZYVYBNASSIAX-UHFFFAOYSA-N
XLogP0.47
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-triazol-3-amine
CID 103117526
5-(3-methoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine
CID 104605127
4-(3-methoxy-4-pyridinyl)-1,3-thiazol-2-amine
CID 105064795
2-[5-amino-3-(3-methoxy-4-pyridinyl)pyrazol-1-yl]ethanol
CID 105063635
5-(4-fluoronaphthalen-1-yl)-2-methyl-1,2,4-triazol-3-amine
CID 114088248
4-amino-3-(3-methoxy-4-pyridinyl)-1H-1,2,4-triazole-5-thione
CID 105063706
[3-amino-6-(3-methoxy-4-pyridinyl)-5-methylpyrazin-2-yl]methanol
CID 156687236
3-(3-methoxy-4-pyridinyl)-1H-1,2,4-triazole-5-sulfonyl chloride
CID 105064798
4-methoxypyridin-3-amine;dihydrochloride
CID 163333119
4-(5-fluoro-2-methoxyphenyl)pyridin-3-amine
CID 70663373
2-(3-methoxy-4-pyridinyl)-1-methylbenzimidazole-5-carboxylic acid
CID 105063785
2-ethoxy-3-(3-methoxy-4-pyridinyl)pyridine
CID 162633135

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-4-pyridinyl)-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-methoxy-4-pyridinyl)-2-methyl-1,2,4-triazol-3-amine (CID 105063345) is 5-(3-methoxy-4-pyridinyl)-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-methoxy-4-pyridinyl)-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-methoxy-4-pyridinyl)-2-methyl-1,2,4-triazol-3-amine is COc1cnccc1-c1nc(N)n(C)n1.
What is the InChIKey of 5-(3-methoxy-4-pyridinyl)-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is ZIZYVYBNASSIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-14-9(10)12-8(13-14)6-3-4-11-5-7(6)15-2/h3-5H,1-2H3,(H2,10,12,13).
What are the key properties of 5-(3-methoxy-4-pyridinyl)-2-methyl-1,2,4-triazol-3-amine?
5-(3-methoxy-4-pyridinyl)-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 205.22 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-4-pyridinyl)-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 105063345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).