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

C8H14N4O2 — CID 83032149

IUPACN-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NC[C@@H](C)O)n1cncn1
InChIInChI=1S/C8H14N4O2/c1-6(13)3-10-8(14)7(2)12-5-9-4-11-12/h4-7,13H,3H2,1-2H3,(H,10,14)/t6-,7?/m1/s1
InChIKeyKRFKNZAIGVVWNY-ULUSZKPHSA-N
MW198.23 g/mol
LogP-0.66
Rot. Bonds4

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

N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 83032149) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID83032149
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC NameN-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NC[C@@H](C)O)n1cncn1
InChIInChI=1S/C8H14N4O2/c1-6(13)3-10-8(14)7(2)12-5-9-4-11-12/h4-7,13H,3H2,1-2H3,(H,10,14)/t6-,7?/m1/s1
InChIKeyKRFKNZAIGVVWNY-ULUSZKPHSA-N
XLogP-0.66
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 60729141
N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43417459
(2R)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 94069814
N-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 60729091
N-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 104873120
N-(4-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 115283422
(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
2-(1,2,4-triazol-1-yl)propanoic acid
CID 16785201
(3S)-3-(1,2,4-triazol-1-yl)butan-2-one
CID 1486533
N-(2-hydroxy-2-methylbutyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 65115000
N-(2,3-dihydroxy-2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 66170276

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 83032149) is N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)NC[C@@H](C)O)n1cncn1.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is KRFKNZAIGVVWNY-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-6(13)3-10-8(14)7(2)12-5-9-4-11-12/h4-7,13H,3H2,1-2H3,(H,10,14)/t6-,7?/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 198.23 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 83032149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).