1-[2-(1-methylpyrazol-3-yl)ethyl]-2H-tetrazole-5-thione

C7H10N6S — CID 106105757

IUPAC1-[2-(1-methylpyrazol-3-yl)ethyl]-2H-tetrazole-5-thione
SMILESCn1ccc(CCn2[nH]nnc2=S)n1
InChIInChI=1S/C7H10N6S/c1-12-4-2-6(9-12)3-5-13-7(14)8-10-11-13/h2,4H,3,5H2,1H3,(H,8,11,14)
InChIKeyAYQPWXYWTMBBHK-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.31
Rot. Bonds3

About 1-[2-(1-methylpyrazol-3-yl)ethyl]-2H-tetrazole-5-thione

1-[2-(1-methylpyrazol-3-yl)ethyl]-2H-tetrazole-5-thione (PubChem CID 106105757) has the molecular formula C7H10N6S and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-3-yl)ethyl]-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-3-yl)ethyl]-2H-tetrazole-5-thione
PubChem CID106105757
Molecular FormulaC7H10N6S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Name1-[2-(1-methylpyrazol-3-yl)ethyl]-2H-tetrazole-5-thione
SMILESCn1ccc(CCn2[nH]nnc2=S)n1
InChIInChI=1S/C7H10N6S/c1-12-4-2-6(9-12)3-5-13-7(14)8-10-11-13/h2,4H,3,5H2,1H3,(H,8,11,14)
InChIKeyAYQPWXYWTMBBHK-UHFFFAOYSA-N
XLogP0.31
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium
CID 18341861
6-bromo-3-[2-(1-methylpyrazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106105632
3-ethyl-1-methylpyrazole;propane
CID 170573719
4-methyl-3-[2-(1-methylpyrazol-3-yl)ethyl]-1H-benzimidazole-2-thione
CID 106105635
1-ethyl-2H-tetrazole-5-thione;N-methylmethanamine
CID 22161533
1-amino-4-(1-methylpyrazol-3-yl)butan-2-one
CID 82413753
4-(1-methylpyrazol-3-yl)butan-2-ol
CID 82875953
N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82877898
N',N'-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 106104819
5-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrazol-4-amine
CID 90010529
4-[2-(1-methylpyrazol-3-yl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 106105623
3-(3-bromopentyl)-1-methylpyrazole
CID 82877302

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-3-yl)ethyl]-2H-tetrazole-5-thione?
The IUPAC name of 1-[2-(1-methylpyrazol-3-yl)ethyl]-2H-tetrazole-5-thione (CID 106105757) is 1-[2-(1-methylpyrazol-3-yl)ethyl]-2H-tetrazole-5-thione.
What is the SMILES notation for 1-[2-(1-methylpyrazol-3-yl)ethyl]-2H-tetrazole-5-thione?
The canonical SMILES for 1-[2-(1-methylpyrazol-3-yl)ethyl]-2H-tetrazole-5-thione is Cn1ccc(CCn2[nH]nnc2=S)n1.
What is the InChIKey of 1-[2-(1-methylpyrazol-3-yl)ethyl]-2H-tetrazole-5-thione?
The InChIKey is AYQPWXYWTMBBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6S/c1-12-4-2-6(9-12)3-5-13-7(14)8-10-11-13/h2,4H,3,5H2,1H3,(H,8,11,14).
What are the key properties of 1-[2-(1-methylpyrazol-3-yl)ethyl]-2H-tetrazole-5-thione?
1-[2-(1-methylpyrazol-3-yl)ethyl]-2H-tetrazole-5-thione has a molecular weight of 210.27 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-3-yl)ethyl]-2H-tetrazole-5-thione is sourced from PubChem (CID 106105757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).