N-(1-hydroxybutan-2-yl)-3-(triazol-1-yl)propanamide

C9H16N4O2 — CID 43419284

IUPACN-(1-hydroxybutan-2-yl)-3-(triazol-1-yl)propanamide
SMILESCCC(CO)NC(=O)CCn1ccnn1
InChIInChI=1S/C9H16N4O2/c1-2-8(7-14)11-9(15)3-5-13-6-4-10-12-13/h4,6,8,14H,2-3,5,7H2,1H3,(H,11,15)
InChIKeyCTDLRPUKBHVEIV-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.44
Rot. Bonds6

About N-(1-hydroxybutan-2-yl)-3-(triazol-1-yl)propanamide

N-(1-hydroxybutan-2-yl)-3-(triazol-1-yl)propanamide (PubChem CID 43419284) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-3-(triazol-1-yl)propanamide
PubChem CID43419284
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-(1-hydroxybutan-2-yl)-3-(triazol-1-yl)propanamide
SMILESCCC(CO)NC(=O)CCn1ccnn1
InChIInChI=1S/C9H16N4O2/c1-2-8(7-14)11-9(15)3-5-13-6-4-10-12-13/h4,6,8,14H,2-3,5,7H2,1H3,(H,11,15)
InChIKeyCTDLRPUKBHVEIV-UHFFFAOYSA-N
XLogP-0.44
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

Analyze N-(1-hydroxybutan-2-yl)-3-(triazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-3-(triazol-1-yl)propanamide (CID 43419284) is N-(1-hydroxybutan-2-yl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-3-(triazol-1-yl)propanamide is CCC(CO)NC(=O)CCn1ccnn1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-3-(triazol-1-yl)propanamide?
The InChIKey is CTDLRPUKBHVEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-2-8(7-14)11-9(15)3-5-13-6-4-10-12-13/h4,6,8,14H,2-3,5,7H2,1H3,(H,11,15).
What are the key properties of N-(1-hydroxybutan-2-yl)-3-(triazol-1-yl)propanamide?
N-(1-hydroxybutan-2-yl)-3-(triazol-1-yl)propanamide has a molecular weight of 212.25 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 43419284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).