4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide

C9H16N4O2 — CID 79193544

IUPAC4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide
SMILESCC(O)CCC(=O)NCc1nncn1C
InChIInChI=1S/C9H16N4O2/c1-7(14)3-4-9(15)10-5-8-12-11-6-13(8)2/h6-7,14H,3-5H2,1-2H3,(H,10,15)
InChIKeyNGKRDTOTHZARMI-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.41
Rot. Bonds5

About 4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide

4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide (PubChem CID 79193544) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide
PubChem CID79193544
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide
SMILESCC(O)CCC(=O)NCc1nncn1C
InChIInChI=1S/C9H16N4O2/c1-7(14)3-4-9(15)10-5-8-12-11-6-13(8)2/h6-7,14H,3-5H2,1-2H3,(H,10,15)
InChIKeyNGKRDTOTHZARMI-UHFFFAOYSA-N
XLogP-0.41
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide?
The IUPAC name of 4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide (CID 79193544) is 4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide.
What is the SMILES notation for 4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide?
The canonical SMILES for 4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide is CC(O)CCC(=O)NCc1nncn1C.
What is the InChIKey of 4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide?
The InChIKey is NGKRDTOTHZARMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-7(14)3-4-9(15)10-5-8-12-11-6-13(8)2/h6-7,14H,3-5H2,1-2H3,(H,10,15).
What are the key properties of 4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide?
4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide has a molecular weight of 212.25 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentanamide is sourced from PubChem (CID 79193544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).