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

C9H11N7O2 — CID 2783837

IUPAC5-oxo-N-(1H-1,2,4-triazol-5-yl)-5-(1,2,4-triazol-1-yl)pentanamide
SMILESO=C(CCCC(=O)n1cncn1)Nc1ncn[nH]1
InChIInChI=1S/C9H11N7O2/c17-7(14-9-11-5-12-15-9)2-1-3-8(18)16-6-10-4-13-16/h4-6H,1-3H2,(H2,11,12,14,15,17)
InChIKeyYYFSKGMGCAQZOR-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.15
Rot. Bonds5

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

5-oxo-N-(1H-1,2,4-triazol-5-yl)-5-(1,2,4-triazol-1-yl)pentanamide (PubChem CID 2783837) has the molecular formula C9H11N7O2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 5-oxo-N-(1H-1,2,4-triazol-5-yl)-5-(1,2,4-triazol-1-yl)pentanamide.

Molecular Properties

Compound Name5-oxo-N-(1H-1,2,4-triazol-5-yl)-5-(1,2,4-triazol-1-yl)pentanamide
PubChem CID2783837
Molecular FormulaC9H11N7O2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name5-oxo-N-(1H-1,2,4-triazol-5-yl)-5-(1,2,4-triazol-1-yl)pentanamide
SMILESO=C(CCCC(=O)n1cncn1)Nc1ncn[nH]1
InChIInChI=1S/C9H11N7O2/c17-7(14-9-11-5-12-15-9)2-1-3-8(18)16-6-10-4-13-16/h4-6H,1-3H2,(H2,11,12,14,15,17)
InChIKeyYYFSKGMGCAQZOR-UHFFFAOYSA-N
XLogP-0.15
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(1H-1,2,4-triazol-5-yl)-5-(1,2,4-triazol-1-yl)pentanamide?
The IUPAC name of 5-oxo-N-(1H-1,2,4-triazol-5-yl)-5-(1,2,4-triazol-1-yl)pentanamide (CID 2783837) is 5-oxo-N-(1H-1,2,4-triazol-5-yl)-5-(1,2,4-triazol-1-yl)pentanamide.
What is the SMILES notation for 5-oxo-N-(1H-1,2,4-triazol-5-yl)-5-(1,2,4-triazol-1-yl)pentanamide?
The canonical SMILES for 5-oxo-N-(1H-1,2,4-triazol-5-yl)-5-(1,2,4-triazol-1-yl)pentanamide is O=C(CCCC(=O)n1cncn1)Nc1ncn[nH]1.
What is the InChIKey of 5-oxo-N-(1H-1,2,4-triazol-5-yl)-5-(1,2,4-triazol-1-yl)pentanamide?
The InChIKey is YYFSKGMGCAQZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7O2/c17-7(14-9-11-5-12-15-9)2-1-3-8(18)16-6-10-4-13-16/h4-6H,1-3H2,(H2,11,12,14,15,17).
What are the key properties of 5-oxo-N-(1H-1,2,4-triazol-5-yl)-5-(1,2,4-triazol-1-yl)pentanamide?
5-oxo-N-(1H-1,2,4-triazol-5-yl)-5-(1,2,4-triazol-1-yl)pentanamide has a molecular weight of 249.23 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(1H-1,2,4-triazol-5-yl)-5-(1,2,4-triazol-1-yl)pentanamide is sourced from PubChem (CID 2783837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).