N-(1,2,4-triazol-4-yl)nonanamide

C11H20N4O — CID 5150986

IUPACN-(1,2,4-triazol-4-yl)nonanamide
SMILESCCCCCCCCC(=O)Nn1cnnc1
InChIInChI=1S/C11H20N4O/c1-2-3-4-5-6-7-8-11(16)14-15-9-12-13-10-15/h9-10H,2-8H2,1H3,(H,14,16)
InChIKeyPVIQUWPIEVVUBZ-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.10
Rot. Bonds8

About N-(1,2,4-triazol-4-yl)nonanamide

N-(1,2,4-triazol-4-yl)nonanamide (PubChem CID 5150986) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(1,2,4-triazol-4-yl)nonanamide.

Molecular Properties

Compound NameN-(1,2,4-triazol-4-yl)nonanamide
PubChem CID5150986
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(1,2,4-triazol-4-yl)nonanamide
SMILESCCCCCCCCC(=O)Nn1cnnc1
InChIInChI=1S/C11H20N4O/c1-2-3-4-5-6-7-8-11(16)14-15-9-12-13-10-15/h9-10H,2-8H2,1H3,(H,14,16)
InChIKeyPVIQUWPIEVVUBZ-UHFFFAOYSA-N
XLogP2.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-[4-(2-aminoethyl)imidazol-1-yl]hexanamide
CID 67935086
N-decanoyldecanamide
CID 87914075
N'-propanoylundecanehydrazide
CID 174995270
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
[2-[2-(dodecanoylamino)ethylamino]-2-oxoethyl]-trimethylazanium
CID 23556532
N-methylheptacosanamide
CID 18175889
N-hydroxytridecanamide
CID 14122613
N-octanoyloctanamide;hydrobromide
CID 175059894
N-methylnonadecanamide
CID 2724821
N-methylundecanamide
CID 23297450
(decanoylamino)urea
CID 65426818

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-triazol-4-yl)nonanamide?
The IUPAC name of N-(1,2,4-triazol-4-yl)nonanamide (CID 5150986) is N-(1,2,4-triazol-4-yl)nonanamide.
What is the SMILES notation for N-(1,2,4-triazol-4-yl)nonanamide?
The canonical SMILES for N-(1,2,4-triazol-4-yl)nonanamide is CCCCCCCCC(=O)Nn1cnnc1.
What is the InChIKey of N-(1,2,4-triazol-4-yl)nonanamide?
The InChIKey is PVIQUWPIEVVUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-3-4-5-6-7-8-11(16)14-15-9-12-13-10-15/h9-10H,2-8H2,1H3,(H,14,16).
What are the key properties of N-(1,2,4-triazol-4-yl)nonanamide?
N-(1,2,4-triazol-4-yl)nonanamide has a molecular weight of 224.31 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-triazol-4-yl)nonanamide is sourced from PubChem (CID 5150986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).