[4-propyl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine

C11H16N6S — CID 55204869

IUPAC[4-propyl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1SCc1cnccn1
InChIInChI=1S/C11H16N6S/c1-2-5-17-10(6-12)15-16-11(17)18-8-9-7-13-3-4-14-9/h3-4,7H,2,5-6,8,12H2,1H3
InChIKeyRJNOFMQOSWHMDR-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.23
Rot. Bonds6

About [4-propyl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine

[4-propyl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 55204869) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is [4-propyl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-propyl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID55204869
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name[4-propyl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1SCc1cnccn1
InChIInChI=1S/C11H16N6S/c1-2-5-17-10(6-12)15-16-11(17)18-8-9-7-13-3-4-14-9/h3-4,7H,2,5-6,8,12H2,1H3
InChIKeyRJNOFMQOSWHMDR-UHFFFAOYSA-N
XLogP1.23
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-propyl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-propyl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine (CID 55204869) is [4-propyl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-propyl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-propyl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine is CCCn1c(CN)nnc1SCc1cnccn1.
What is the InChIKey of [4-propyl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is RJNOFMQOSWHMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-2-5-17-10(6-12)15-16-11(17)18-8-9-7-13-3-4-14-9/h3-4,7H,2,5-6,8,12H2,1H3.
What are the key properties of [4-propyl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
[4-propyl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 264.36 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propyl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 55204869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).