N-(1-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide

C9H16N4O2 — CID 43419282

IUPACN-(1-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCC(CO)NC(=O)C(C)n1cncn1
InChIInChI=1S/C9H16N4O2/c1-3-8(4-14)12-9(15)7(2)13-6-10-5-11-13/h5-8,14H,3-4H2,1-2H3,(H,12,15)
InChIKeyBIIYWCBIMCAJQC-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.27
Rot. Bonds5

About N-(1-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide

N-(1-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 43419282) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID43419282
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-(1-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCC(CO)NC(=O)C(C)n1cncn1
InChIInChI=1S/C9H16N4O2/c1-3-8(4-14)12-9(15)7(2)13-6-10-5-11-13/h5-8,14H,3-4H2,1-2H3,(H,12,15)
InChIKeyBIIYWCBIMCAJQC-UHFFFAOYSA-N
XLogP-0.27
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 ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 78972744
N-(1-hydroxy-3-methylbutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 79252621
N-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 60729091
N-(4-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 115283422
N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43417459
N-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 104873120
4-methyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid
CID 43210967
ethyl 2-[2-(1,2,4-triazol-1-yl)propanoylamino]propanoate
CID 54960602
N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 60729141
N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 83032149
N-pent-4-yn-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 115661997
(2S)-4-methoxy-4-oxo-2-[2-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid
CID 63307021

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide (CID 43419282) is N-(1-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide is CCC(CO)NC(=O)C(C)n1cncn1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is BIIYWCBIMCAJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-3-8(4-14)12-9(15)7(2)13-6-10-5-11-13/h5-8,14H,3-4H2,1-2H3,(H,12,15).
What are the key properties of N-(1-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(1-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 212.25 g/mol, XLogP of -0.27, 5 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)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 43419282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).