N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide

C8H14N4O2 — CID 83032454

IUPACN-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@@H](O)CNC(=O)CCn1cncn1
InChIInChI=1S/C8H14N4O2/c1-7(13)4-10-8(14)2-3-12-6-9-5-11-12/h5-7,13H,2-4H2,1H3,(H,10,14)/t7-/m1/s1
InChIKeyOFEJDLSRABRXDS-SSDOTTSWSA-N
MW198.23 g/mol
LogP-0.83
Rot. Bonds5

About N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 83032454) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID83032454
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC NameN-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@@H](O)CNC(=O)CCn1cncn1
InChIInChI=1S/C8H14N4O2/c1-7(13)4-10-8(14)2-3-12-6-9-5-11-12/h5-7,13H,2-4H2,1H3,(H,10,14)/t7-/m1/s1
InChIKeyOFEJDLSRABRXDS-SSDOTTSWSA-N
XLogP-0.83
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63733343
N-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66108992
2-[[3-(1,2,4-triazol-1-yl)propanoylamino]methyl]pentanoic acid
CID 65218713
N-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 95296206
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 111120044
N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 81483875
N-(2-hydroxy-2,4-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66181091
N-(2-amino-2-phenylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63120307
N-(2-phenylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47138932
N-(2-hydroxypropyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 62334205
N-(2,3-dihydroxy-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66168569
N-[2-(2-hydroxypropylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 104593785

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 83032454) is N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide is C[C@@H](O)CNC(=O)CCn1cncn1.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is OFEJDLSRABRXDS-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-7(13)4-10-8(14)2-3-12-6-9-5-11-12/h5-7,13H,2-4H2,1H3,(H,10,14)/t7-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 198.23 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 83032454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).