5-(3-amino-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pentanamide

C7H13N5OS — CID 106236433

IUPAC5-(3-amino-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pentanamide
SMILESNC(=O)CCCCn1c(N)n[nH]c1=S
InChIInChI=1S/C7H13N5OS/c8-5(13)3-1-2-4-12-6(9)10-11-7(12)14/h1-4H2,(H2,8,13)(H2,9,10)(H,11,14)
InChIKeyCKEYJMSZALNRLX-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.18
Rot. Bonds5

About 5-(3-amino-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pentanamide

5-(3-amino-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pentanamide (PubChem CID 106236433) has the molecular formula C7H13N5OS and a molecular weight of 215.28 g/mol. Its IUPAC name is 5-(3-amino-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pentanamide.

Molecular Properties

Compound Name5-(3-amino-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pentanamide
PubChem CID106236433
Molecular FormulaC7H13N5OS
Molecular Weight215.28 g/mol
Exact Mass215.08
IUPAC Name5-(3-amino-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pentanamide
SMILESNC(=O)CCCCn1c(N)n[nH]c1=S
InChIInChI=1S/C7H13N5OS/c8-5(13)3-1-2-4-12-6(9)10-11-7(12)14/h1-4H2,(H2,8,13)(H2,9,10)(H,11,14)
InChIKeyCKEYJMSZALNRLX-UHFFFAOYSA-N
XLogP0.18
TPSA102.72 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 ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pentanamide?
The IUPAC name of 5-(3-amino-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pentanamide (CID 106236433) is 5-(3-amino-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pentanamide.
What is the SMILES notation for 5-(3-amino-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pentanamide?
The canonical SMILES for 5-(3-amino-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pentanamide is NC(=O)CCCCn1c(N)n[nH]c1=S.
What is the InChIKey of 5-(3-amino-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pentanamide?
The InChIKey is CKEYJMSZALNRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5OS/c8-5(13)3-1-2-4-12-6(9)10-11-7(12)14/h1-4H2,(H2,8,13)(H2,9,10)(H,11,14).
What are the key properties of 5-(3-amino-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pentanamide?
5-(3-amino-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pentanamide has a molecular weight of 215.28 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pentanamide is sourced from PubChem (CID 106236433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).