1-(3-aminopropyl)-2H-tetrazole-5-thione

C4H9N5S — CID 15333026

IUPAC1-(3-aminopropyl)-2H-tetrazole-5-thione
SMILESNCCCn1[nH]nnc1=S
InChIInChI=1S/C4H9N5S/c5-2-1-3-9-4(10)6-7-8-9/h1-3,5H2,(H,6,8,10)
InChIKeyLBLNUXPGSWXHRT-UHFFFAOYSA-N
MW159.22 g/mol
LogP-0.32
Rot. Bonds3

About 1-(3-aminopropyl)-2H-tetrazole-5-thione

1-(3-aminopropyl)-2H-tetrazole-5-thione (PubChem CID 15333026) has the molecular formula C4H9N5S and a molecular weight of 159.22 g/mol. Its IUPAC name is 1-(3-aminopropyl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(3-aminopropyl)-2H-tetrazole-5-thione
PubChem CID15333026
Molecular FormulaC4H9N5S
Molecular Weight159.22 g/mol
Exact Mass159.06
IUPAC Name1-(3-aminopropyl)-2H-tetrazole-5-thione
SMILESNCCCn1[nH]nnc1=S
InChIInChI=1S/C4H9N5S/c5-2-1-3-9-4(10)6-7-8-9/h1-3,5H2,(H,6,8,10)
InChIKeyLBLNUXPGSWXHRT-UHFFFAOYSA-N
XLogP-0.32
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(3-aminopropyl)-2H-tetrazole-5-thione (CID 15333026) is 1-(3-aminopropyl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(3-aminopropyl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(3-aminopropyl)-2H-tetrazole-5-thione is NCCCn1[nH]nnc1=S.
What is the InChIKey of 1-(3-aminopropyl)-2H-tetrazole-5-thione?
The InChIKey is LBLNUXPGSWXHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5S/c5-2-1-3-9-4(10)6-7-8-9/h1-3,5H2,(H,6,8,10).
What are the key properties of 1-(3-aminopropyl)-2H-tetrazole-5-thione?
1-(3-aminopropyl)-2H-tetrazole-5-thione has a molecular weight of 159.22 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-2H-tetrazole-5-thione is sourced from PubChem (CID 15333026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).