1-[2-[ethyl(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione

C8H17N5S — CID 163553150

IUPAC1-[2-[ethyl(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione
SMILESCCN(CCn1[nH]nnc1=S)C(C)C
InChIInChI=1S/C8H17N5S/c1-4-12(7(2)3)5-6-13-8(14)9-10-11-13/h7H,4-6H2,1-3H3,(H,9,11,14)
InChIKeyFKTRKXPTHFUUOP-UHFFFAOYSA-N
MW215.33 g/mol
LogP1.07
Rot. Bonds5

About 1-[2-[ethyl(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione

1-[2-[ethyl(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione (PubChem CID 163553150) has the molecular formula C8H17N5S and a molecular weight of 215.33 g/mol. Its IUPAC name is 1-[2-[ethyl(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-[2-[ethyl(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione
PubChem CID163553150
Molecular FormulaC8H17N5S
Molecular Weight215.33 g/mol
Exact Mass215.12
IUPAC Name1-[2-[ethyl(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione
SMILESCCN(CCn1[nH]nnc1=S)C(C)C
InChIInChI=1S/C8H17N5S/c1-4-12(7(2)3)5-6-13-8(14)9-10-11-13/h7H,4-6H2,1-3H3,(H,9,11,14)
InChIKeyFKTRKXPTHFUUOP-UHFFFAOYSA-N
XLogP1.07
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
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-[2-[ethyl(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione?
The IUPAC name of 1-[2-[ethyl(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione (CID 163553150) is 1-[2-[ethyl(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione.
What is the SMILES notation for 1-[2-[ethyl(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione?
The canonical SMILES for 1-[2-[ethyl(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione is CCN(CCn1[nH]nnc1=S)C(C)C.
What is the InChIKey of 1-[2-[ethyl(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione?
The InChIKey is FKTRKXPTHFUUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5S/c1-4-12(7(2)3)5-6-13-8(14)9-10-11-13/h7H,4-6H2,1-3H3,(H,9,11,14).
What are the key properties of 1-[2-[ethyl(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione?
1-[2-[ethyl(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione has a molecular weight of 215.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(propan-2-yl)amino]ethyl]-2H-tetrazole-5-thione is sourced from PubChem (CID 163553150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).