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

C9H15N5OS — CID 39528498

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CSc1n[nH]c(N)n1)C1CC1
InChIInChI=1S/C9H15N5OS/c1-2-14(6-3-4-6)7(15)5-16-9-11-8(10)12-13-9/h6H,2-5H2,1H3,(H3,10,11,12,13)
InChIKeyMRVRVDUOOCXXKB-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.49
Rot. Bonds5

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

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-N-ethylacetamide (PubChem CID 39528498) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-N-ethylacetamide
PubChem CID39528498
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CSc1n[nH]c(N)n1)C1CC1
InChIInChI=1S/C9H15N5OS/c1-2-14(6-3-4-6)7(15)5-16-9-11-8(10)12-13-9/h6H,2-5H2,1H3,(H3,10,11,12,13)
InChIKeyMRVRVDUOOCXXKB-UHFFFAOYSA-N
XLogP0.49
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide
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2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-ethylpiperidin-1-yl)ethanone
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N,N-di(propan-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 24235333
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
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-2-ylacetamide
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2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 4809879
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide
CID 4811644
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7704487
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 7704489

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-N-ethylacetamide (CID 39528498) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CSc1n[nH]c(N)n1)C1CC1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-N-ethylacetamide?
The InChIKey is MRVRVDUOOCXXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-2-14(6-3-4-6)7(15)5-16-9-11-8(10)12-13-9/h6H,2-5H2,1H3,(H3,10,11,12,13).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-N-ethylacetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-N-ethylacetamide has a molecular weight of 241.32 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 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-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 39528498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).