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

C10H13N5OS — CID 63987087

IUPAC5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
SMILESCOc1cccc(CSc2nnc(N)n2C)n1
InChIInChI=1S/C10H13N5OS/c1-15-9(11)13-14-10(15)17-6-7-4-3-5-8(12-7)16-2/h3-5H,6H2,1-2H3,(H2,11,13)
InChIKeySKLHNIBYSFTRGZ-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.09
Rot. Bonds4

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

5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine (PubChem CID 63987087) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
PubChem CID63987087
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
SMILESCOc1cccc(CSc2nnc(N)n2C)n1
InChIInChI=1S/C10H13N5OS/c1-15-9(11)13-14-10(15)17-6-7-4-3-5-8(12-7)16-2/h3-5H,6H2,1-2H3,(H2,11,13)
InChIKeySKLHNIBYSFTRGZ-UHFFFAOYSA-N
XLogP1.09
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine (CID 63987087) is 5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine is COc1cccc(CSc2nnc(N)n2C)n1.
What is the InChIKey of 5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine?
The InChIKey is SKLHNIBYSFTRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-15-9(11)13-14-10(15)17-6-7-4-3-5-8(12-7)16-2/h3-5H,6H2,1-2H3,(H2,11,13).
What are the key properties of 5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine?
5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine has a molecular weight of 251.31 g/mol, XLogP of 1.09, 4 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-amine is sourced from PubChem (CID 63987087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).