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

C7H12N4O3 — CID 83095786

IUPAC4-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide
SMILESCOc1n[nH]c(NC(=O)CCCO)n1
InChIInChI=1S/C7H12N4O3/c1-14-7-9-6(10-11-7)8-5(13)3-2-4-12/h12H,2-4H2,1H3,(H2,8,9,10,11,13)
InChIKeyYFGZAOOEJBIOLY-UHFFFAOYSA-N
MW200.20 g/mol
LogP-0.48
Rot. Bonds5

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

4-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide (PubChem CID 83095786) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 4-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide
PubChem CID83095786
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name4-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide
SMILESCOc1n[nH]c(NC(=O)CCCO)n1
InChIInChI=1S/C7H12N4O3/c1-14-7-9-6(10-11-7)8-5(13)3-2-4-12/h12H,2-4H2,1H3,(H2,8,9,10,11,13)
InChIKeyYFGZAOOEJBIOLY-UHFFFAOYSA-N
XLogP-0.48
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide?
The IUPAC name of 4-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide (CID 83095786) is 4-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide?
The canonical SMILES for 4-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide is COc1n[nH]c(NC(=O)CCCO)n1.
What is the InChIKey of 4-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide?
The InChIKey is YFGZAOOEJBIOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-14-7-9-6(10-11-7)8-5(13)3-2-4-12/h12H,2-4H2,1H3,(H2,8,9,10,11,13).
What are the key properties of 4-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide?
4-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide has a molecular weight of 200.20 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide is sourced from PubChem (CID 83095786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).