2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine

C5H10N4S — CID 3157483

IUPAC2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine
SMILESCc1nc(SCCN)n[nH]1
InChIInChI=1S/C5H10N4S/c1-4-7-5(9-8-4)10-3-2-6/h2-3,6H2,1H3,(H,7,8,9)
InChIKeyHZXHKHYOZYEEOQ-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.16
Rot. Bonds3

About 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine

2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine (PubChem CID 3157483) has the molecular formula C5H10N4S and a molecular weight of 158.23 g/mol. Its IUPAC name is 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine
PubChem CID3157483
Molecular FormulaC5H10N4S
Molecular Weight158.23 g/mol
Exact Mass158.06
IUPAC Name2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine
SMILESCc1nc(SCCN)n[nH]1
InChIInChI=1S/C5H10N4S/c1-4-7-5(9-8-4)10-3-2-6/h2-3,6H2,1H3,(H,7,8,9)
InChIKeyHZXHKHYOZYEEOQ-UHFFFAOYSA-N
XLogP0.16
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine?
The IUPAC name of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine (CID 3157483) is 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine.
What is the SMILES notation for 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine?
The canonical SMILES for 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine is Cc1nc(SCCN)n[nH]1.
What is the InChIKey of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine?
The InChIKey is HZXHKHYOZYEEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S/c1-4-7-5(9-8-4)10-3-2-6/h2-3,6H2,1H3,(H,7,8,9).
What are the key properties of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine?
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine has a molecular weight of 158.23 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine is sourced from PubChem (CID 3157483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).