3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide

C10H18N6O — CID 62807019

IUPAC3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCN1CCC(CNC(=O)c2nc(N)n[nH]2)C1
InChIInChI=1S/C10H18N6O/c1-2-16-4-3-7(6-16)5-12-9(17)8-13-10(11)15-14-8/h7H,2-6H2,1H3,(H,12,17)(H3,11,13,14,15)
InChIKeyGEPLKVBGRQFWDY-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.54
Rot. Bonds4

About 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62807019) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID62807019
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCN1CCC(CNC(=O)c2nc(N)n[nH]2)C1
InChIInChI=1S/C10H18N6O/c1-2-16-4-3-7(6-16)5-12-9(17)8-13-10(11)15-14-8/h7H,2-6H2,1H3,(H,12,17)(H3,11,13,14,15)
InChIKeyGEPLKVBGRQFWDY-UHFFFAOYSA-N
XLogP-0.54
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 106026096
4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 54927297
N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide
CID 78968368
4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688692
N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61242837
6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60855368
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61077226
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide
CID 79772808
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107377516

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide (CID 62807019) is 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide is CCN1CCC(CNC(=O)c2nc(N)n[nH]2)C1.
What is the InChIKey of 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is GEPLKVBGRQFWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-2-16-4-3-7(6-16)5-12-9(17)8-13-10(11)15-14-8/h7H,2-6H2,1H3,(H,12,17)(H3,11,13,14,15).
What are the key properties of 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 238.29 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62807019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).