N-(1-hydroxy-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide

C9H16N4O2 — CID 43500504

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide
SMILESCC(C)(CO)NC(=O)CCn1ccnn1
InChIInChI=1S/C9H16N4O2/c1-9(2,7-14)11-8(15)3-5-13-6-4-10-12-13/h4,6,14H,3,5,7H2,1-2H3,(H,11,15)
InChIKeyQLSPELZBTSQCHL-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.44
Rot. Bonds5

About N-(1-hydroxy-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide

N-(1-hydroxy-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide (PubChem CID 43500504) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide
PubChem CID43500504
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide
SMILESCC(C)(CO)NC(=O)CCn1ccnn1
InChIInChI=1S/C9H16N4O2/c1-9(2,7-14)11-8(15)3-5-13-6-4-10-12-13/h4,6,14H,3,5,7H2,1-2H3,(H,11,15)
InChIKeyQLSPELZBTSQCHL-UHFFFAOYSA-N
XLogP-0.44
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 ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide (CID 43500504) is N-(1-hydroxy-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide is CC(C)(CO)NC(=O)CCn1ccnn1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide?
The InChIKey is QLSPELZBTSQCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-9(2,7-14)11-8(15)3-5-13-6-4-10-12-13/h4,6,14H,3,5,7H2,1-2H3,(H,11,15).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide?
N-(1-hydroxy-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide has a molecular weight of 212.25 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 43500504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).