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

C11H20N6O — CID 79314331

IUPAC3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1H-1,2,4-triazole-5-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)c1nc(N)n[nH]1
InChIInChI=1S/C11H20N6O/c1-3-17-6-4-5-8(17)7-16(2)10(18)9-13-11(12)15-14-9/h8H,3-7H2,1-2H3,(H3,12,13,14,15)
InChIKeyYZAIGPXKXWOUHG-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.06
Rot. Bonds4

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

3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1H-1,2,4-triazole-5-carboxamide (PubChem CID 79314331) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1H-1,2,4-triazole-5-carboxamide
PubChem CID79314331
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1H-1,2,4-triazole-5-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)c1nc(N)n[nH]1
InChIInChI=1S/C11H20N6O/c1-3-17-6-4-5-8(17)7-16(2)10(18)9-13-11(12)15-14-9/h8H,3-7H2,1-2H3,(H3,12,13,14,15)
InChIKeyYZAIGPXKXWOUHG-UHFFFAOYSA-N
XLogP-0.06
TPSA91.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide
CID 79315633
4-amino-3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide
CID 82813502
6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 103890012
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 79313970
4-amino-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrole-2-carboxamide
CID 79303494
5-amino-2,3-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide
CID 107185486
1-(2-aminoethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyltriazole-4-carboxamide
CID 79314420
3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 106026096
2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide
CID 79314252
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 79312453
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide
CID 113248160
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 136511984

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1H-1,2,4-triazole-5-carboxamide (CID 79314331) is 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1H-1,2,4-triazole-5-carboxamide is CCN1CCCC1CN(C)C(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is YZAIGPXKXWOUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-3-17-6-4-5-8(17)7-16(2)10(18)9-13-11(12)15-14-9/h8H,3-7H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 252.32 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 79314331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).