3-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-1,2,4-triazole-5-carboxamide

C7H13N5OS — CID 112658989

IUPAC3-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCSCCN(C)C(=O)c1nc(N)n[nH]1
InChIInChI=1S/C7H13N5OS/c1-12(3-4-14-2)6(13)5-9-7(8)11-10-5/h3-4H2,1-2H3,(H3,8,9,10,11)
InChIKeyZEVJHHJNGZHLGZ-UHFFFAOYSA-N
MW215.28 g/mol
LogP-0.18
Rot. Bonds4

About 3-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 112658989) has the molecular formula C7H13N5OS and a molecular weight of 215.28 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID112658989
Molecular FormulaC7H13N5OS
Molecular Weight215.28 g/mol
Exact Mass215.08
IUPAC Name3-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCSCCN(C)C(=O)c1nc(N)n[nH]1
InChIInChI=1S/C7H13N5OS/c1-12(3-4-14-2)6(13)5-9-7(8)11-10-5/h3-4H2,1-2H3,(H3,8,9,10,11)
InChIKeyZEVJHHJNGZHLGZ-UHFFFAOYSA-N
XLogP-0.18
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-1,2,4-triazole-5-carboxamide (CID 112658989) is 3-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-1,2,4-triazole-5-carboxamide is CSCCN(C)C(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is ZEVJHHJNGZHLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5OS/c1-12(3-4-14-2)6(13)5-9-7(8)11-10-5/h3-4H2,1-2H3,(H3,8,9,10,11).
What are the key properties of 3-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 215.28 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 112658989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).