N-[3-(dimethylamino)propyl]-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide

C13H19N7O — CID 43833127

IUPACN-[3-(dimethylamino)propyl]-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCN(C)CCCNC(=O)Cc1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C13H19N7O/c1-20(2)7-3-4-16-12(21)8-11-17-13(19-18-11)10-9-14-5-6-15-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,21)(H,17,18,19)
InChIKeyOXEFWRNNPKRFLR-UHFFFAOYSA-N
MW289.34 g/mol
LogP-0.13
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide

N-[3-(dimethylamino)propyl]-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 43833127) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID43833127
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC NameN-[3-(dimethylamino)propyl]-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCN(C)CCCNC(=O)Cc1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C13H19N7O/c1-20(2)7-3-4-16-12(21)8-11-17-13(19-18-11)10-9-14-5-6-15-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,21)(H,17,18,19)
InChIKeyOXEFWRNNPKRFLR-UHFFFAOYSA-N
XLogP-0.13
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-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

1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea
CID 110492155
N-[3-(dimethylamino)propyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684062
N-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 39850688
2-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 43832906
ethyl 3-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)propanoate
CID 167975792
N-[3-(dimethylamino)propyl]-2-(1-methylimidazol-2-yl)acetamide
CID 110474563
N-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide
CID 110485149
N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
CID 110755338
5-methyl-4-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 146047046
3-(3-methoxyphenyl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 77090946
2-(4-chloropyrazol-1-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 119066893
4-amino-N-[3-(dimethylamino)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 83567488

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide (CID 43833127) is N-[3-(dimethylamino)propyl]-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide is CN(C)CCCNC(=O)Cc1nc(-c2cnccn2)n[nH]1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is OXEFWRNNPKRFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-20(2)7-3-4-16-12(21)8-11-17-13(19-18-11)10-9-14-5-6-15-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,21)(H,17,18,19).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
N-[3-(dimethylamino)propyl]-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 289.34 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 43833127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).