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

C7H12N4O2 — CID 43417459

IUPACN-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NCCO)n1cncn1
InChIInChI=1S/C7H12N4O2/c1-6(7(13)9-2-3-12)11-5-8-4-10-11/h4-6,12H,2-3H2,1H3,(H,9,13)
InChIKeyRZDVWZKUNVFELW-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.05
Rot. Bonds4

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

N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 43417459) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID43417459
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC NameN-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NCCO)n1cncn1
InChIInChI=1S/C7H12N4O2/c1-6(7(13)9-2-3-12)11-5-8-4-10-11/h4-6,12H,2-3H2,1H3,(H,9,13)
InChIKeyRZDVWZKUNVFELW-UHFFFAOYSA-N
XLogP-1.05
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(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-(1-hydroxy-3-methylbutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 79252621
(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-(2,3-dihydroxy-2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 66170276
N-(1-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43419282
N-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 104873120
N-[2-(2-methoxyethylamino)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 82993648
(2S)-N-[2-(azepan-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 97064288

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 43417459) is N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)NCCO)n1cncn1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is RZDVWZKUNVFELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-6(7(13)9-2-3-12)11-5-8-4-10-11/h4-6,12H,2-3H2,1H3,(H,9,13).
What are the key properties of N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 184.20 g/mol, XLogP of -1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 43417459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).