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

C10H18N4O — CID 19844496

IUPACN-(1H-1,2,4-triazol-5-yl)octanamide
SMILESCCCCCCCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C10H18N4O/c1-2-3-4-5-6-7-9(15)13-10-11-8-12-14-10/h8H,2-7H2,1H3,(H2,11,12,13,14,15)
InChIKeyKEGSHWCHJOHBSY-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.10
Rot. Bonds7

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

N-(1H-1,2,4-triazol-5-yl)octanamide (PubChem CID 19844496) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)octanamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)octanamide
PubChem CID19844496
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-(1H-1,2,4-triazol-5-yl)octanamide
SMILESCCCCCCCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C10H18N4O/c1-2-3-4-5-6-7-9(15)13-10-11-8-12-14-10/h8H,2-7H2,1H3,(H2,11,12,13,14,15)
InChIKeyKEGSHWCHJOHBSY-UHFFFAOYSA-N
XLogP2.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)octanamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)octanamide (CID 19844496) is N-(1H-1,2,4-triazol-5-yl)octanamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)octanamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)octanamide is CCCCCCCC(=O)Nc1ncn[nH]1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)octanamide?
The InChIKey is KEGSHWCHJOHBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-3-4-5-6-7-9(15)13-10-11-8-12-14-10/h8H,2-7H2,1H3,(H2,11,12,13,14,15).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)octanamide?
N-(1H-1,2,4-triazol-5-yl)octanamide has a molecular weight of 210.28 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)octanamide is sourced from PubChem (CID 19844496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).