N-methoxy-5-(triazol-1-yl)pentanamide

C8H14N4O2 — CID 141119237

IUPACN-methoxy-5-(triazol-1-yl)pentanamide
SMILESCONC(=O)CCCCn1ccnn1
InChIInChI=1S/C8H14N4O2/c1-14-10-8(13)4-2-3-6-12-7-5-9-11-12/h5,7H,2-4,6H2,1H3,(H,10,13)
InChIKeyNHMLGZVOVFQFQF-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.13
Rot. Bonds6

About N-methoxy-5-(triazol-1-yl)pentanamide

N-methoxy-5-(triazol-1-yl)pentanamide (PubChem CID 141119237) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N-methoxy-5-(triazol-1-yl)pentanamide.

Molecular Properties

Compound NameN-methoxy-5-(triazol-1-yl)pentanamide
PubChem CID141119237
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC NameN-methoxy-5-(triazol-1-yl)pentanamide
SMILESCONC(=O)CCCCn1ccnn1
InChIInChI=1S/C8H14N4O2/c1-14-10-8(13)4-2-3-6-12-7-5-9-11-12/h5,7H,2-4,6H2,1H3,(H,10,13)
InChIKeyNHMLGZVOVFQFQF-UHFFFAOYSA-N
XLogP0.13
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-5-(triazol-1-yl)pentanamide?
The IUPAC name of N-methoxy-5-(triazol-1-yl)pentanamide (CID 141119237) is N-methoxy-5-(triazol-1-yl)pentanamide.
What is the SMILES notation for N-methoxy-5-(triazol-1-yl)pentanamide?
The canonical SMILES for N-methoxy-5-(triazol-1-yl)pentanamide is CONC(=O)CCCCn1ccnn1.
What is the InChIKey of N-methoxy-5-(triazol-1-yl)pentanamide?
The InChIKey is NHMLGZVOVFQFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-14-10-8(13)4-2-3-6-12-7-5-9-11-12/h5,7H,2-4,6H2,1H3,(H,10,13).
What are the key properties of N-methoxy-5-(triazol-1-yl)pentanamide?
N-methoxy-5-(triazol-1-yl)pentanamide has a molecular weight of 198.23 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-5-(triazol-1-yl)pentanamide is sourced from PubChem (CID 141119237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).