5-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide

C8H14N4O3 — CID 83096131

IUPAC5-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide
SMILESCOc1n[nH]c(NC(=O)CCCCO)n1
InChIInChI=1S/C8H14N4O3/c1-15-8-10-7(11-12-8)9-6(14)4-2-3-5-13/h13H,2-5H2,1H3,(H2,9,10,11,12,14)
InChIKeyRLNLVEAOUKDRFN-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.09
Rot. Bonds6

About 5-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide

5-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide (PubChem CID 83096131) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide
PubChem CID83096131
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name5-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide
SMILESCOc1n[nH]c(NC(=O)CCCCO)n1
InChIInChI=1S/C8H14N4O3/c1-15-8-10-7(11-12-8)9-6(14)4-2-3-5-13/h13H,2-5H2,1H3,(H2,9,10,11,12,14)
InChIKeyRLNLVEAOUKDRFN-UHFFFAOYSA-N
XLogP-0.09
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 5-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide?
The IUPAC name of 5-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide (CID 83096131) is 5-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide.
What is the SMILES notation for 5-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide?
The canonical SMILES for 5-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide is COc1n[nH]c(NC(=O)CCCCO)n1.
What is the InChIKey of 5-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide?
The InChIKey is RLNLVEAOUKDRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-15-8-10-7(11-12-8)9-6(14)4-2-3-5-13/h13H,2-5H2,1H3,(H2,9,10,11,12,14).
What are the key properties of 5-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide?
5-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide has a molecular weight of 214.22 g/mol, XLogP of -0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide is sourced from PubChem (CID 83096131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).