N-(5-methoxypentyl)-1H-1,2,4-triazole-5-carboxamide

C9H16N4O2 — CID 103824779

IUPACN-(5-methoxypentyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCOCCCCCNC(=O)c1ncn[nH]1
InChIInChI=1S/C9H16N4O2/c1-15-6-4-2-3-5-10-9(14)8-11-7-12-13-8/h7H,2-6H2,1H3,(H,10,14)(H,11,12,13)
InChIKeyDURSYGOFSVCTBB-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.35
Rot. Bonds7

About N-(5-methoxypentyl)-1H-1,2,4-triazole-5-carboxamide

N-(5-methoxypentyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 103824779) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-(5-methoxypentyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-methoxypentyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID103824779
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-(5-methoxypentyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCOCCCCCNC(=O)c1ncn[nH]1
InChIInChI=1S/C9H16N4O2/c1-15-6-4-2-3-5-10-9(14)8-11-7-12-13-8/h7H,2-6H2,1H3,(H,10,14)(H,11,12,13)
InChIKeyDURSYGOFSVCTBB-UHFFFAOYSA-N
XLogP0.35
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylsulfanylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749145
N-(3,3-dimethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749109
N-[(E)-pent-3-enyl]-1H-1,2,4-triazole-5-carboxamide
CID 115749138
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1H-1,2,4-triazole-5-carboxamide
CID 113276434
4-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 79001382
N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
CID 103886008
N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749130
2-hydroxy-4-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid
CID 107831797
N-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 103822634
N-(2,2-difluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 115283347
1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 67183318

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypentyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(5-methoxypentyl)-1H-1,2,4-triazole-5-carboxamide (CID 103824779) is N-(5-methoxypentyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(5-methoxypentyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(5-methoxypentyl)-1H-1,2,4-triazole-5-carboxamide is COCCCCCNC(=O)c1ncn[nH]1.
What is the InChIKey of N-(5-methoxypentyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is DURSYGOFSVCTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-15-6-4-2-3-5-10-9(14)8-11-7-12-13-8/h7H,2-6H2,1H3,(H,10,14)(H,11,12,13).
What are the key properties of N-(5-methoxypentyl)-1H-1,2,4-triazole-5-carboxamide?
N-(5-methoxypentyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 212.25 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypentyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 103824779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).