4-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide

C6H10N4OS — CID 60864510

IUPAC4-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide
SMILESNC(=O)CCCn1cn[nH]c1=S
InChIInChI=1S/C6H10N4OS/c7-5(11)2-1-3-10-4-8-9-6(10)12/h4H,1-3H2,(H2,7,11)(H,9,12)
InChIKeyPGRBQLJSHOYKQW-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.21
Rot. Bonds4

About 4-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide

4-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide (PubChem CID 60864510) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is 4-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide.

Molecular Properties

Compound Name4-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide
PubChem CID60864510
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name4-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide
SMILESNC(=O)CCCn1cn[nH]c1=S
InChIInChI=1S/C6H10N4OS/c7-5(11)2-1-3-10-4-8-9-6(10)12/h4H,1-3H2,(H2,7,11)(H,9,12)
InChIKeyPGRBQLJSHOYKQW-UHFFFAOYSA-N
XLogP0.21
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)propanamide
CID 4962564
4-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide
CID 60864323
4-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide
CID 60864324
N,N-dimethyl-3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)propanamide
CID 61861446
3-(3-amino-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propanamide
CID 64572166
4-(3-amino-5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide
CID 64573018
5-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)pentanamide
CID 106235745
5-(3-amino-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pentanamide
CID 106236433
3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide
CID 116306246
3-(3-amino-5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide
CID 116307293
N-methyl-3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide
CID 130639445
2-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide
CID 131110987

Frequently Asked Questions

What is the IUPAC name of 4-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide?
The IUPAC name of 4-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide (CID 60864510) is 4-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide.
What is the SMILES notation for 4-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide?
The canonical SMILES for 4-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide is NC(=O)CCCn1cn[nH]c1=S.
What is the InChIKey of 4-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide?
The InChIKey is PGRBQLJSHOYKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c7-5(11)2-1-3-10-4-8-9-6(10)12/h4H,1-3H2,(H2,7,11)(H,9,12).
What are the key properties of 4-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide?
4-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide has a molecular weight of 186.24 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide is sourced from PubChem (CID 60864510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).