N-[2-(2-hydroxypropylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide

C9H17N5O2 — CID 104593785

IUPACN-[2-(2-hydroxypropylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(O)CNCCNC(=O)Cn1cncn1
InChIInChI=1S/C9H17N5O2/c1-8(15)4-10-2-3-12-9(16)5-14-7-11-6-13-14/h6-8,10,15H,2-5H2,1H3,(H,12,16)
InChIKeyIAEWTMOAGQNKLN-UHFFFAOYSA-N
MW227.27 g/mol
LogP-1.64
Rot. Bonds7

About N-[2-(2-hydroxypropylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[2-(2-hydroxypropylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 104593785) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID104593785
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(O)CNCCNC(=O)Cn1cncn1
InChIInChI=1S/C9H17N5O2/c1-8(15)4-10-2-3-12-9(16)5-14-7-11-6-13-14/h6-8,10,15H,2-5H2,1H3,(H,12,16)
InChIKeyIAEWTMOAGQNKLN-UHFFFAOYSA-N
XLogP-1.64
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(2-hydroxypropylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxypentyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 107300236
N-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide
CID 104593436
N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 83032454
N-(2-aminobutyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 63730542
N-(2-azidoethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 61342865
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 103769453
N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 83032149
N-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 130626359
N-[2-(2-hydroxypropylamino)ethyl]butanamide
CID 104593451
N-[2-(2-methoxyethylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 82994001
2-ethyl-2-[[[2-(1,2,4-triazol-1-yl)acetyl]amino]methyl]butanoic acid
CID 113308433
N-[2-(1H-imidazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 115649558

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 104593785) is N-[2-(2-hydroxypropylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide is CC(O)CNCCNC(=O)Cn1cncn1.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is IAEWTMOAGQNKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-8(15)4-10-2-3-12-9(16)5-14-7-11-6-13-14/h6-8,10,15H,2-5H2,1H3,(H,12,16).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[2-(2-hydroxypropylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 227.27 g/mol, XLogP of -1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 104593785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).