1-[2-[cyclopropyl(methyl)amino]ethyl]-2H-tetrazole-5-thione

C7H13N5S — CID 62978000

IUPAC1-[2-[cyclopropyl(methyl)amino]ethyl]-2H-tetrazole-5-thione
SMILESCN(CCn1[nH]nnc1=S)C1CC1
InChIInChI=1S/C7H13N5S/c1-11(6-2-3-6)4-5-12-7(13)8-9-10-12/h6H,2-5H2,1H3,(H,8,10,13)
InChIKeyRCYQCVADACQFRN-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.43
Rot. Bonds4

About 1-[2-[cyclopropyl(methyl)amino]ethyl]-2H-tetrazole-5-thione

1-[2-[cyclopropyl(methyl)amino]ethyl]-2H-tetrazole-5-thione (PubChem CID 62978000) has the molecular formula C7H13N5S and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]ethyl]-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]ethyl]-2H-tetrazole-5-thione
PubChem CID62978000
Molecular FormulaC7H13N5S
Molecular Weight199.28 g/mol
Exact Mass199.09
IUPAC Name1-[2-[cyclopropyl(methyl)amino]ethyl]-2H-tetrazole-5-thione
SMILESCN(CCn1[nH]nnc1=S)C1CC1
InChIInChI=1S/C7H13N5S/c1-11(6-2-3-6)4-5-12-7(13)8-9-10-12/h6H,2-5H2,1H3,(H,8,10,13)
InChIKeyRCYQCVADACQFRN-UHFFFAOYSA-N
XLogP0.43
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.43
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-[cyclopropyl(methyl)amino]ethyl]-2H-tetrazole-5-thione?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethyl]-2H-tetrazole-5-thione (CID 62978000) is 1-[2-[cyclopropyl(methyl)amino]ethyl]-2H-tetrazole-5-thione.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]ethyl]-2H-tetrazole-5-thione?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]ethyl]-2H-tetrazole-5-thione is CN(CCn1[nH]nnc1=S)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]ethyl]-2H-tetrazole-5-thione?
The InChIKey is RCYQCVADACQFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5S/c1-11(6-2-3-6)4-5-12-7(13)8-9-10-12/h6H,2-5H2,1H3,(H,8,10,13).
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]ethyl]-2H-tetrazole-5-thione?
1-[2-[cyclopropyl(methyl)amino]ethyl]-2H-tetrazole-5-thione has a molecular weight of 199.28 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]ethyl]-2H-tetrazole-5-thione is sourced from PubChem (CID 62978000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).