3-(thiatriazol-5-yl)propan-1-amine

C4H8N4S — CID 116985685

IUPAC3-(thiatriazol-5-yl)propan-1-amine
SMILESNCCCc1nnns1
InChIInChI=1S/C4H8N4S/c5-3-1-2-4-6-7-8-9-4/h1-3,5H2
InChIKeyQCWNAAABFRUEID-UHFFFAOYSA-N
MW144.20 g/mol
LogP-0.18
Rot. Bonds3

About 3-(thiatriazol-5-yl)propan-1-amine

3-(thiatriazol-5-yl)propan-1-amine (PubChem CID 116985685) has the molecular formula C4H8N4S and a molecular weight of 144.20 g/mol. Its IUPAC name is 3-(thiatriazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(thiatriazol-5-yl)propan-1-amine
PubChem CID116985685
Molecular FormulaC4H8N4S
Molecular Weight144.20 g/mol
Exact Mass144.05
IUPAC Name3-(thiatriazol-5-yl)propan-1-amine
SMILESNCCCc1nnns1
InChIInChI=1S/C4H8N4S/c5-3-1-2-4-6-7-8-9-4/h1-3,5H2
InChIKeyQCWNAAABFRUEID-UHFFFAOYSA-N
XLogP-0.18
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(thiatriazol-5-yl)propan-1-amine?
The IUPAC name of 3-(thiatriazol-5-yl)propan-1-amine (CID 116985685) is 3-(thiatriazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(thiatriazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(thiatriazol-5-yl)propan-1-amine is NCCCc1nnns1.
What is the InChIKey of 3-(thiatriazol-5-yl)propan-1-amine?
The InChIKey is QCWNAAABFRUEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4S/c5-3-1-2-4-6-7-8-9-4/h1-3,5H2.
What are the key properties of 3-(thiatriazol-5-yl)propan-1-amine?
3-(thiatriazol-5-yl)propan-1-amine has a molecular weight of 144.20 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiatriazol-5-yl)propan-1-amine is sourced from PubChem (CID 116985685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).