1-ethyl-2H-tetrazole-5-thione;N-methylmethanamine

C5H13N5S — CID 22161533

IUPAC1-ethyl-2H-tetrazole-5-thione;N-methylmethanamine
SMILESCCn1[nH]nnc1=S.CNC
InChIInChI=1S/C3H6N4S.C2H7N/c1-2-7-3(8)4-5-6-7;1-3-2/h2H2,1H3,(H,4,6,8);3H,1-2H3
InChIKeyUPCUOSGKXJBLDU-UHFFFAOYSA-N
MW175.26 g/mol
LogP0.19
Rot. Bonds1

About 1-ethyl-2H-tetrazole-5-thione;N-methylmethanamine

1-ethyl-2H-tetrazole-5-thione;N-methylmethanamine (PubChem CID 22161533) has the molecular formula C5H13N5S and a molecular weight of 175.26 g/mol. Its IUPAC name is 1-ethyl-2H-tetrazole-5-thione;N-methylmethanamine.

Molecular Properties

Compound Name1-ethyl-2H-tetrazole-5-thione;N-methylmethanamine
PubChem CID22161533
Molecular FormulaC5H13N5S
Molecular Weight175.26 g/mol
Exact Mass175.09
IUPAC Name1-ethyl-2H-tetrazole-5-thione;N-methylmethanamine
SMILESCCn1[nH]nnc1=S.CNC
InChIInChI=1S/C3H6N4S.C2H7N/c1-2-7-3(8)4-5-6-7;1-3-2/h2H2,1H3,(H,4,6,8);3H,1-2H3
InChIKeyUPCUOSGKXJBLDU-UHFFFAOYSA-N
XLogP0.19
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 50.19
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-ethyl-2H-tetrazole-5-thione;N-methylmethanamine?
The IUPAC name of 1-ethyl-2H-tetrazole-5-thione;N-methylmethanamine (CID 22161533) is 1-ethyl-2H-tetrazole-5-thione;N-methylmethanamine.
What is the SMILES notation for 1-ethyl-2H-tetrazole-5-thione;N-methylmethanamine?
The canonical SMILES for 1-ethyl-2H-tetrazole-5-thione;N-methylmethanamine is CCn1[nH]nnc1=S.CNC.
What is the InChIKey of 1-ethyl-2H-tetrazole-5-thione;N-methylmethanamine?
The InChIKey is UPCUOSGKXJBLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4S.C2H7N/c1-2-7-3(8)4-5-6-7;1-3-2/h2H2,1H3,(H,4,6,8);3H,1-2H3.
What are the key properties of 1-ethyl-2H-tetrazole-5-thione;N-methylmethanamine?
1-ethyl-2H-tetrazole-5-thione;N-methylmethanamine has a molecular weight of 175.26 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2H-tetrazole-5-thione;N-methylmethanamine is sourced from PubChem (CID 22161533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).