2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide

C7H13N5OS — CID 7704534

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1n[nH]c(N)n1
InChIInChI=1S/C7H13N5OS/c1-2-3-9-5(13)4-14-7-10-6(8)11-12-7/h2-4H2,1H3,(H,9,13)(H3,8,10,11,12)
InChIKeyDIMRKCUTFYULQO-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.01
Rot. Bonds5

About 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide (PubChem CID 7704534) has the molecular formula C7H13N5OS and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
PubChem CID7704534
Molecular FormulaC7H13N5OS
Molecular Weight215.28 g/mol
Exact Mass215.08
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1n[nH]c(N)n1
InChIInChI=1S/C7H13N5OS/c1-2-3-9-5(13)4-14-7-10-6(8)11-12-7/h2-4H2,1H3,(H,9,13)(H3,8,10,11,12)
InChIKeyDIMRKCUTFYULQO-UHFFFAOYSA-N
XLogP0.01
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-N-cyclohexylacetamide
CID 2304193
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 3303284
N-methyl-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide
CID 1490782
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylacetamide
CID 2339775
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 2414940
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide
CID 2426480
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide
CID 2693146
N-(2-methylpropyl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
CID 35699863
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 2630097
2-((5-Amino-4h-1,2,4-triazol-3-yl)thio)-N-isopentylacetamide
CID 4809876
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-2-ylacetamide
CID 4809877
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide
CID 4811644

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide (CID 7704534) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide is CCCNC(=O)CSc1n[nH]c(N)n1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide?
The InChIKey is DIMRKCUTFYULQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5OS/c1-2-3-9-5(13)4-14-7-10-6(8)11-12-7/h2-4H2,1H3,(H,9,13)(H3,8,10,11,12).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide has a molecular weight of 215.28 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide is sourced from PubChem (CID 7704534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).