N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide

C13H23N5O — CID 56740750

IUPACN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCN1CCC(C)(CN(C)C(=O)CCn2cncn2)C1
InChIInChI=1S/C13H23N5O/c1-13(5-7-16(2)8-13)9-17(3)12(19)4-6-18-11-14-10-15-18/h10-11H,4-9H2,1-3H3
InChIKeyJCJGCEKJGWEPGC-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.47
Rot. Bonds5

About N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide

N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 56740750) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID56740750
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCN1CCC(C)(CN(C)C(=O)CCn2cncn2)C1
InChIInChI=1S/C13H23N5O/c1-13(5-7-16(2)8-13)9-17(3)12(19)4-6-18-11-14-10-15-18/h10-11H,4-9H2,1-3H3
InChIKeyJCJGCEKJGWEPGC-UHFFFAOYSA-N
XLogP0.47
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide (CID 56740750) is N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide is CN1CCC(C)(CN(C)C(=O)CCn2cncn2)C1.
What is the InChIKey of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is JCJGCEKJGWEPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-13(5-7-16(2)8-13)9-17(3)12(19)4-6-18-11-14-10-15-18/h10-11H,4-9H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide?
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 265.36 g/mol, XLogP of 0.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 56740750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).