5-sulfanyl-5-(1H-1,2,4-triazol-5-yl)pentanamide

C7H12N4OS — CID 87903645

IUPAC5-sulfanyl-5-(1H-1,2,4-triazol-5-yl)pentanamide
SMILESNC(=O)CCCC(S)c1ncn[nH]1
InChIInChI=1S/C7H12N4OS/c8-6(12)3-1-2-5(13)7-9-4-10-11-7/h4-5,13H,1-3H2,(H2,8,12)(H,9,10,11)
InChIKeyFFALDGRPMBUPAE-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.43
Rot. Bonds5

About 5-sulfanyl-5-(1H-1,2,4-triazol-5-yl)pentanamide

5-sulfanyl-5-(1H-1,2,4-triazol-5-yl)pentanamide (PubChem CID 87903645) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 5-sulfanyl-5-(1H-1,2,4-triazol-5-yl)pentanamide.

Molecular Properties

Compound Name5-sulfanyl-5-(1H-1,2,4-triazol-5-yl)pentanamide
PubChem CID87903645
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name5-sulfanyl-5-(1H-1,2,4-triazol-5-yl)pentanamide
SMILESNC(=O)CCCC(S)c1ncn[nH]1
InChIInChI=1S/C7H12N4OS/c8-6(12)3-1-2-5(13)7-9-4-10-11-7/h4-5,13H,1-3H2,(H2,8,12)(H,9,10,11)
InChIKeyFFALDGRPMBUPAE-UHFFFAOYSA-N
XLogP0.43
TPSA84.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-(1H-1,2,4-triazol-5-yl)pentanal
CID 23284937
1-(1H-1,2,4-triazol-5-yl)pentane-2-thiol
CID 56974647
2-sulfanyl-2-(1H-1,2,4-triazol-5-yl)pentanamide
CID 87903643
N-[2-sulfanyl-4-(1H-1,2,4-triazol-5-yl)butyl]acetamide
CID 88505126
3-(1H-1,2,4-triazol-5-yl)propanamide
CID 89405067
(1R)-1-(1H-1,2,4-triazol-5-yl)pentane-1-thiol
CID 134503596
2-sulfanyl-2-(1H-1,2,4-triazol-5-yl)acetamide
CID 153984566
6-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide
CID 64530741
N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiane-2-carboxamide
CID 80595281

Frequently Asked Questions

What is the IUPAC name of 5-sulfanyl-5-(1H-1,2,4-triazol-5-yl)pentanamide?
The IUPAC name of 5-sulfanyl-5-(1H-1,2,4-triazol-5-yl)pentanamide (CID 87903645) is 5-sulfanyl-5-(1H-1,2,4-triazol-5-yl)pentanamide.
What is the SMILES notation for 5-sulfanyl-5-(1H-1,2,4-triazol-5-yl)pentanamide?
The canonical SMILES for 5-sulfanyl-5-(1H-1,2,4-triazol-5-yl)pentanamide is NC(=O)CCCC(S)c1ncn[nH]1.
What is the InChIKey of 5-sulfanyl-5-(1H-1,2,4-triazol-5-yl)pentanamide?
The InChIKey is FFALDGRPMBUPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c8-6(12)3-1-2-5(13)7-9-4-10-11-7/h4-5,13H,1-3H2,(H2,8,12)(H,9,10,11).
What are the key properties of 5-sulfanyl-5-(1H-1,2,4-triazol-5-yl)pentanamide?
5-sulfanyl-5-(1H-1,2,4-triazol-5-yl)pentanamide has a molecular weight of 200.27 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfanyl-5-(1H-1,2,4-triazol-5-yl)pentanamide is sourced from PubChem (CID 87903645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).