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

C6H10N4O2 — CID 79203629

IUPAC4-hydroxy-N-(1H-1,2,4-triazol-5-yl)butanamide
SMILESO=C(CCCO)Nc1ncn[nH]1
InChIInChI=1S/C6H10N4O2/c11-3-1-2-5(12)9-6-7-4-8-10-6/h4,11H,1-3H2,(H2,7,8,9,10,12)
InChIKeyKNBWPDVVCGLJBM-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.48
Rot. Bonds4

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

4-hydroxy-N-(1H-1,2,4-triazol-5-yl)butanamide (PubChem CID 79203629) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 4-hydroxy-N-(1H-1,2,4-triazol-5-yl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(1H-1,2,4-triazol-5-yl)butanamide
PubChem CID79203629
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name4-hydroxy-N-(1H-1,2,4-triazol-5-yl)butanamide
SMILESO=C(CCCO)Nc1ncn[nH]1
InChIInChI=1S/C6H10N4O2/c11-3-1-2-5(12)9-6-7-4-8-10-6/h4,11H,1-3H2,(H2,7,8,9,10,12)
InChIKeyKNBWPDVVCGLJBM-UHFFFAOYSA-N
XLogP-0.48
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1H-1,2,4-triazol-5-yl)butanamide?
The IUPAC name of 4-hydroxy-N-(1H-1,2,4-triazol-5-yl)butanamide (CID 79203629) is 4-hydroxy-N-(1H-1,2,4-triazol-5-yl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(1H-1,2,4-triazol-5-yl)butanamide?
The canonical SMILES for 4-hydroxy-N-(1H-1,2,4-triazol-5-yl)butanamide is O=C(CCCO)Nc1ncn[nH]1.
What is the InChIKey of 4-hydroxy-N-(1H-1,2,4-triazol-5-yl)butanamide?
The InChIKey is KNBWPDVVCGLJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c11-3-1-2-5(12)9-6-7-4-8-10-6/h4,11H,1-3H2,(H2,7,8,9,10,12).
What are the key properties of 4-hydroxy-N-(1H-1,2,4-triazol-5-yl)butanamide?
4-hydroxy-N-(1H-1,2,4-triazol-5-yl)butanamide has a molecular weight of 170.17 g/mol, XLogP of -0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1H-1,2,4-triazol-5-yl)butanamide is sourced from PubChem (CID 79203629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).