N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide

C10H17N5O — CID 78968368

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide
SMILESCCN1CCC(CNC(=O)c2cn[nH]n2)C1
InChIInChI=1S/C10H17N5O/c1-2-15-4-3-8(7-15)5-11-10(16)9-6-12-14-13-9/h6,8H,2-5,7H2,1H3,(H,11,16)(H,12,13,14)
InChIKeyRMYUQIIULIUYMG-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.12
Rot. Bonds4

About N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide

N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide (PubChem CID 78968368) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide
PubChem CID78968368
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide
SMILESCCN1CCC(CNC(=O)c2cn[nH]n2)C1
InChIInChI=1S/C10H17N5O/c1-2-15-4-3-8(7-15)5-11-10(16)9-6-12-14-13-9/h6,8H,2-5,7H2,1H3,(H,11,16)(H,12,13,14)
InChIKeyRMYUQIIULIUYMG-UHFFFAOYSA-N
XLogP-0.12
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethylpyrrolidin-3-yl)methyl]-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

N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide
CID 125439680
6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60855368
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107377516
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64525612
N-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 60856399
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 62237446
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61242484
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807019
4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 54927297
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62237077
2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
CID 62180742
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide (CID 78968368) is N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide is CCN1CCC(CNC(=O)c2cn[nH]n2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide?
The InChIKey is RMYUQIIULIUYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-2-15-4-3-8(7-15)5-11-10(16)9-6-12-14-13-9/h6,8H,2-5,7H2,1H3,(H,11,16)(H,12,13,14).
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide?
N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 78968368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).