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

C13H19N5OS — CID 63984319

IUPAC[5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1SCc1cccc(OC)n1
InChIInChI=1S/C13H19N5OS/c1-3-7-18-11(8-14)16-17-13(18)20-9-10-5-4-6-12(15-10)19-2/h4-6H,3,7-9,14H2,1-2H3
InChIKeyBPKMNWZZGYBJLP-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.84
Rot. Bonds7

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

[5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 63984319) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is [5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
PubChem CID63984319
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name[5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1SCc1cccc(OC)n1
InChIInChI=1S/C13H19N5OS/c1-3-7-18-11(8-14)16-17-13(18)20-9-10-5-4-6-12(15-10)19-2/h4-6H,3,7-9,14H2,1-2H3
InChIKeyBPKMNWZZGYBJLP-UHFFFAOYSA-N
XLogP1.84
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.84
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-propyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine (CID 63984319) is [5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine is CCCn1c(CN)nnc1SCc1cccc(OC)n1.
What is the InChIKey of [5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is BPKMNWZZGYBJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-3-7-18-11(8-14)16-17-13(18)20-9-10-5-4-6-12(15-10)19-2/h4-6H,3,7-9,14H2,1-2H3.
What are the key properties of [5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine?
[5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 293.40 g/mol, XLogP of 1.84, 7 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-propyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 63984319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).