N-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide

C10H19N5O — CID 102978833

IUPACN-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide
SMILESCCN(CCCN(C)C)C(=O)c1cn[nH]n1
InChIInChI=1S/C10H19N5O/c1-4-15(7-5-6-14(2)3)10(16)9-8-11-13-12-9/h8H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyZEUWIKOOCXSTGZ-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.22
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide

N-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide (PubChem CID 102978833) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide
PubChem CID102978833
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide
SMILESCCN(CCCN(C)C)C(=O)c1cn[nH]n1
InChIInChI=1S/C10H19N5O/c1-4-15(7-5-6-14(2)3)10(16)9-8-11-13-12-9/h8H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyZEUWIKOOCXSTGZ-UHFFFAOYSA-N
XLogP0.22
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide 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

3-[ethyl(2H-triazole-4-carbonyl)amino]propanoic acid
CID 63283146
N-ethyl-N-(2-methoxyethyl)-2H-triazole-4-carboxamide
CID 112733352
N,N-dihexyl-2H-triazole-4-carboxamide
CID 112733489
N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide
CID 102978931
6-amino-N-[3-(dimethylamino)propyl]-N-ethylpyrazine-2-carboxamide
CID 114036119
N,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide
CID 60959519
N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridazine-3-carboxamide
CID 102996743
2-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 102992909
N-[(3,4-difluorophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide
CID 112733333
N-[3-(dimethylamino)propyl]-N-ethyl-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 100676394
4-amino-5-cyclopropyl-N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-3-carboxamide
CID 102990884
N-ethyl-N-[(3-fluorophenyl)methyl]-2H-triazole-4-carboxamide
CID 47335109

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide (CID 102978833) is N-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide is CCN(CCCN(C)C)C(=O)c1cn[nH]n1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide?
The InChIKey is ZEUWIKOOCXSTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-4-15(7-5-6-14(2)3)10(16)9-8-11-13-12-9/h8H,4-7H2,1-3H3,(H,11,12,13).
What are the key properties of N-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide?
N-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide has a molecular weight of 225.30 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 102978833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).