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

C10H18N4O2 — CID 79200253

IUPAC4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide
SMILESCC(O)CCC(=O)NC(C)c1nncn1C
InChIInChI=1S/C10H18N4O2/c1-7(15)4-5-9(16)12-8(2)10-13-11-6-14(10)3/h6-8,15H,4-5H2,1-3H3,(H,12,16)
InChIKeyYYSXBTFNECCAON-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.15
Rot. Bonds5

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

4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide (PubChem CID 79200253) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide
PubChem CID79200253
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide
SMILESCC(O)CCC(=O)NC(C)c1nncn1C
InChIInChI=1S/C10H18N4O2/c1-7(15)4-5-9(16)12-8(2)10-13-11-6-14(10)3/h6-8,15H,4-5H2,1-3H3,(H,12,16)
InChIKeyYYSXBTFNECCAON-UHFFFAOYSA-N
XLogP0.15
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide?
The IUPAC name of 4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide (CID 79200253) is 4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide.
What is the SMILES notation for 4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide?
The canonical SMILES for 4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide is CC(O)CCC(=O)NC(C)c1nncn1C.
What is the InChIKey of 4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide?
The InChIKey is YYSXBTFNECCAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7(15)4-5-9(16)12-8(2)10-13-11-6-14(10)3/h6-8,15H,4-5H2,1-3H3,(H,12,16).
What are the key properties of 4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide?
4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide has a molecular weight of 226.28 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide is sourced from PubChem (CID 79200253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).