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

C6H11N5O3S — CID 62807194

IUPAC3-amino-N-(2-methylsulfonylethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C6H11N5O3S/c1-15(13,14)3-2-8-5(12)4-9-6(7)11-10-4/h2-3H2,1H3,(H,8,12)(H3,7,9,10,11)
InChIKeyANEVMKSTVMQQSM-UHFFFAOYSA-N
MW233.25 g/mol
LogP-1.84
Rot. Bonds4

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

3-amino-N-(2-methylsulfonylethyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62807194) has the molecular formula C6H11N5O3S and a molecular weight of 233.25 g/mol. Its IUPAC name is 3-amino-N-(2-methylsulfonylethyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methylsulfonylethyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62807194
Molecular FormulaC6H11N5O3S
Molecular Weight233.25 g/mol
Exact Mass233.06
IUPAC Name3-amino-N-(2-methylsulfonylethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C6H11N5O3S/c1-15(13,14)3-2-8-5(12)4-9-6(7)11-10-4/h2-3H2,1H3,(H,8,12)(H3,7,9,10,11)
InChIKeyANEVMKSTVMQQSM-UHFFFAOYSA-N
XLogP-1.84
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylsulfonylethyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(2-methylsulfonylethyl)-1H-1,2,4-triazole-5-carboxamide (CID 62807194) is 3-amino-N-(2-methylsulfonylethyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methylsulfonylethyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(2-methylsulfonylethyl)-1H-1,2,4-triazole-5-carboxamide is CS(=O)(=O)CCNC(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-(2-methylsulfonylethyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is ANEVMKSTVMQQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O3S/c1-15(13,14)3-2-8-5(12)4-9-6(7)11-10-4/h2-3H2,1H3,(H,8,12)(H3,7,9,10,11).
What are the key properties of 3-amino-N-(2-methylsulfonylethyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(2-methylsulfonylethyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 233.25 g/mol, XLogP of -1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylsulfonylethyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62807194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).