N-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide

C10H18N4O2 — CID 66108992

IUPACN-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(CCO)CNC(=O)CCn1cncn1
InChIInChI=1S/C10H18N4O2/c1-9(3-5-15)6-12-10(16)2-4-14-8-11-7-13-14/h7-9,15H,2-6H2,1H3,(H,12,16)
InChIKeyGSBAXLOWUHUDIZ-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.20
Rot. Bonds7

About N-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide

N-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 66108992) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID66108992
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(CCO)CNC(=O)CCn1cncn1
InChIInChI=1S/C10H18N4O2/c1-9(3-5-15)6-12-10(16)2-4-14-8-11-7-13-14/h7-9,15H,2-6H2,1H3,(H,12,16)
InChIKeyGSBAXLOWUHUDIZ-UHFFFAOYSA-N
XLogP-0.20
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 66108992) is N-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide is CC(CCO)CNC(=O)CCn1cncn1.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is GSBAXLOWUHUDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-9(3-5-15)6-12-10(16)2-4-14-8-11-7-13-14/h7-9,15H,2-6H2,1H3,(H,12,16).
What are the key properties of N-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 226.28 g/mol, XLogP of -0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 66108992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).