N-methyl-4-sulfanyltriazole-1-carboxamide

C4H6N4OS — CID 88794408

IUPACN-methyl-4-sulfanyltriazole-1-carboxamide
SMILESCNC(=O)n1cc(S)nn1
InChIInChI=1S/C4H6N4OS/c1-5-4(9)8-2-3(10)6-7-8/h2,10H,1H3,(H,5,9)
InChIKeyRZXFNOVHFZIRDA-UHFFFAOYSA-N
MW158.19 g/mol
LogP-0.25
Rot. Bonds

About N-methyl-4-sulfanyltriazole-1-carboxamide

N-methyl-4-sulfanyltriazole-1-carboxamide (PubChem CID 88794408) has the molecular formula C4H6N4OS and a molecular weight of 158.19 g/mol. Its IUPAC name is N-methyl-4-sulfanyltriazole-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-sulfanyltriazole-1-carboxamide
PubChem CID88794408
Molecular FormulaC4H6N4OS
Molecular Weight158.19 g/mol
Exact Mass158.03
IUPAC NameN-methyl-4-sulfanyltriazole-1-carboxamide
SMILESCNC(=O)n1cc(S)nn1
InChIInChI=1S/C4H6N4OS/c1-5-4(9)8-2-3(10)6-7-8/h2,10H,1H3,(H,5,9)
InChIKeyRZXFNOVHFZIRDA-UHFFFAOYSA-N
XLogP-0.25
TPSA59.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,6-dimethylbenzimidazole-1-carboxamide
CID 141344220
N-methylpyrazole-1-carboxamide;propane
CID 90891150
1-(4-methyltriazol-1-yl)ethanone
CID 119096452
N-methyl-6-oxopyridazine-1-carboxamide
CID 141012448
2-tert-butyl-1-N-methylimidazole-1,4-dicarboxamide
CID 70133022
2-[4-(4-aminobutyl)triazol-1-yl]-N-methylacetamide
CID 106209353
5-bromo-N-methyl-2-oxopyridine-1-carboxamide
CID 70471044
N-methyl-4-phenylimidazole-1-carboxamide
CID 66713962
ethane;5-ethyl-N-methylpyrazole-1-carboxamide
CID 170960967
3-[1-(3-aminopropyl)triazol-4-yl]-N-methylpropanamide
CID 139444913
4-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide
CID 130242142
ethyl 4-ethoxytriazole-1-carboxylate
CID 134989947

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-sulfanyltriazole-1-carboxamide?
The IUPAC name of N-methyl-4-sulfanyltriazole-1-carboxamide (CID 88794408) is N-methyl-4-sulfanyltriazole-1-carboxamide.
What is the SMILES notation for N-methyl-4-sulfanyltriazole-1-carboxamide?
The canonical SMILES for N-methyl-4-sulfanyltriazole-1-carboxamide is CNC(=O)n1cc(S)nn1.
What is the InChIKey of N-methyl-4-sulfanyltriazole-1-carboxamide?
The InChIKey is RZXFNOVHFZIRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4OS/c1-5-4(9)8-2-3(10)6-7-8/h2,10H,1H3,(H,5,9).
What are the key properties of N-methyl-4-sulfanyltriazole-1-carboxamide?
N-methyl-4-sulfanyltriazole-1-carboxamide has a molecular weight of 158.19 g/mol, XLogP of -0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-sulfanyltriazole-1-carboxamide is sourced from PubChem (CID 88794408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).