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

C10H18N4O2 — CID 79252621

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)C(CO)NC(=O)C(C)n1cncn1
InChIInChI=1S/C10H18N4O2/c1-7(2)9(4-15)13-10(16)8(3)14-6-11-5-12-14/h5-9,15H,4H2,1-3H3,(H,13,16)
InChIKeyKMBCBDCERBVWSE-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.03
Rot. Bonds5

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

N-(1-hydroxy-3-methylbutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 79252621) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID79252621
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)C(CO)NC(=O)C(C)n1cncn1
InChIInChI=1S/C10H18N4O2/c1-7(2)9(4-15)13-10(16)8(3)14-6-11-5-12-14/h5-9,15H,4H2,1-3H3,(H,13,16)
InChIKeyKMBCBDCERBVWSE-UHFFFAOYSA-N
XLogP-0.03
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 ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide (CID 79252621) is N-(1-hydroxy-3-methylbutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide is CC(C)C(CO)NC(=O)C(C)n1cncn1.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is KMBCBDCERBVWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7(2)9(4-15)13-10(16)8(3)14-6-11-5-12-14/h5-9,15H,4H2,1-3H3,(H,13,16).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(1-hydroxy-3-methylbutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 226.28 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 79252621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).