[5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine

C11H15N5OS — CID 63984123

IUPAC[5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCOc1cccc(CSc2nnc(CN)n2C)n1
InChIInChI=1S/C11H15N5OS/c1-16-9(6-12)14-15-11(16)18-7-8-4-3-5-10(13-8)17-2/h3-5H,6-7,12H2,1-2H3
InChIKeyIPWZVXQLYRIKSK-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.97
Rot. Bonds5

About [5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine

[5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 63984123) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is [5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
PubChem CID63984123
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name[5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCOc1cccc(CSc2nnc(CN)n2C)n1
InChIInChI=1S/C11H15N5OS/c1-16-9(6-12)14-15-11(16)18-7-8-4-3-5-10(13-8)17-2/h3-5H,6-7,12H2,1-2H3
InChIKeyIPWZVXQLYRIKSK-UHFFFAOYSA-N
XLogP0.97
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

[4-(3-Methoxy-phenyl)-5-pyrazin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetonitrile
CID 648358
2-[5-(4-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl]-pyridine
CID 1166017
3-[[4-(6-Methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
CID 53586001
5-(3-Butan-2-ylsulfanyl-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 60333939
2-methoxy-6-(1H-1,2,4-triazol-5-yl)pyridine
CID 72724826
3-((3-Methoxybenzyl)thio)-5-(2-pyridinyl)-4H-1,2,4-triazol-4-ylamine
CID 933520
2-((4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(3-methoxyphenyl)acetamide
CID 1864925
2-{[4-Ethyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-N-(4-methoxyphenyl)acetamide
CID 1949575
2-((4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(4-methoxyphenyl)acetamide
CID 1996230
N-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine
CID 99795034
2-Methoxy-6-[(5-methyltetrazol-1-yl)methyl]pyridine
CID 136514632
2-[4-(2-Fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-6-methoxypyridine
CID 124085442

Frequently Asked Questions

What is the IUPAC name of [5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine (CID 63984123) is [5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine is COc1cccc(CSc2nnc(CN)n2C)n1.
What is the InChIKey of [5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is IPWZVXQLYRIKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-16-9(6-12)14-15-11(16)18-7-8-4-3-5-10(13-8)17-2/h3-5H,6-7,12H2,1-2H3.
What are the key properties of [5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine?
[5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 265.34 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 63984123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).