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

C10H13N5OS — CID 79494822

IUPAC3-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCN(CCc1cccs1)C(=O)c1nc(N)n[nH]1
InChIInChI=1S/C10H13N5OS/c1-15(5-4-7-3-2-6-17-7)9(16)8-12-10(11)14-13-8/h2-3,6H,4-5H2,1H3,(H3,11,12,13,14)
InChIKeyGRNURRPZXUHNBS-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.76
Rot. Bonds4

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

3-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 79494822) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID79494822
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name3-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCN(CCc1cccs1)C(=O)c1nc(N)n[nH]1
InChIInChI=1S/C10H13N5OS/c1-15(5-4-7-3-2-6-17-7)9(16)8-12-10(11)14-13-8/h2-3,6H,4-5H2,1H3,(H3,11,12,13,14)
InChIKeyGRNURRPZXUHNBS-UHFFFAOYSA-N
XLogP0.76
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 79487631
N-methyl-N-(2-thiophen-2-ylethyl)-2H-triazole-4-carboxamide
CID 79036798
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79019362
6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 79487639
4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82833096
3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 79036876
3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide
CID 114038532
4-amino-3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79494740
4-amino-1-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide
CID 79476461
3-amino-N-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 79489443
N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107032184
2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036837

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-1,2,4-triazole-5-carboxamide (CID 79494822) is 3-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-1,2,4-triazole-5-carboxamide is CN(CCc1cccs1)C(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is GRNURRPZXUHNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-15(5-4-7-3-2-6-17-7)9(16)8-12-10(11)14-13-8/h2-3,6H,4-5H2,1H3,(H3,11,12,13,14).
What are the key properties of 3-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 0.76, 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-thiophen-2-ylethyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 79494822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).