N-[(2R)-1-hydroxybutan-2-yl]-3-(triazol-1-yl)propanamide

C9H16N4O2 — CID 103920188

IUPACN-[(2R)-1-hydroxybutan-2-yl]-3-(triazol-1-yl)propanamide
SMILESCC[C@H](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)/t8-/m1/s1
InChIKeyCTDLRPUKBHVEIV-MRVPVSSYSA-N
MW212.25 g/mol
LogP-0.44
Rot. Bonds6

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

N-[(2R)-1-hydroxybutan-2-yl]-3-(triazol-1-yl)propanamide (PubChem CID 103920188) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-3-(triazol-1-yl)propanamide
PubChem CID103920188
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-3-(triazol-1-yl)propanamide
SMILESCC[C@H](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)/t8-/m1/s1
InChIKeyCTDLRPUKBHVEIV-MRVPVSSYSA-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

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide
CID 104981673
N-[(2R)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide
CID 103920026
2-[3-(triazol-1-yl)propanoylamino]propanoic acid
CID 43211063
N-[(2R)-1-hydroxybutan-2-yl]-3-imidazol-1-ylpropanamide
CID 103919885
N-but-3-yn-2-yl-3-(triazol-1-yl)propanamide
CID 114389728
methyl 3-methyl-2-[3-(triazol-1-yl)propanoylamino]butanoate
CID 43423188
N-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide
CID 43601596
4-methylsulfonyl-2-[3-(triazol-1-yl)propanoylamino]butanoic acid
CID 43107767
N-(1-hydroxybutan-2-yl)-3-phenothiazin-10-ylpropanamide
CID 112771464
N-[2-methyl-3-(methylamino)propyl]-3-(triazol-1-yl)propanamide
CID 81479457
N-[1-(hydroxymethyl)cyclopropyl]-3-(triazol-1-yl)propanamide
CID 115877716
N-(1-amino-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide
CID 63193740

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-3-(triazol-1-yl)propanamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-3-(triazol-1-yl)propanamide (CID 103920188) is N-[(2R)-1-hydroxybutan-2-yl]-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-3-(triazol-1-yl)propanamide is CC[C@H](CO)NC(=O)CCn1ccnn1.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-3-(triazol-1-yl)propanamide?
The InChIKey is CTDLRPUKBHVEIV-MRVPVSSYSA-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)/t8-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-3-(triazol-1-yl)propanamide?
N-[(2R)-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-[(2R)-1-hydroxybutan-2-yl]-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 103920188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).