N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide

C13H23N5O2 — CID 106611811

IUPACN-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOCCN(CC1CCCN1)C(=O)CCn1cncn1
InChIInChI=1S/C13H23N5O2/c1-20-8-7-17(9-12-3-2-5-15-12)13(19)4-6-18-11-14-10-16-18/h10-12,15H,2-9H2,1H3
InChIKeyFVDDPAVJPISYTJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.10
Rot. Bonds8

About N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide

N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 106611811) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID106611811
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC NameN-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOCCN(CC1CCCN1)C(=O)CCn1cncn1
InChIInChI=1S/C13H23N5O2/c1-20-8-7-17(9-12-3-2-5-15-12)13(19)4-6-18-11-14-10-16-18/h10-12,15H,2-9H2,1H3
InChIKeyFVDDPAVJPISYTJ-UHFFFAOYSA-N
XLogP-0.10
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 104974211
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611388
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106611566
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 106611713
N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 106607472
N-(2-hydroxyethyl)-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612969
N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612022
N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride
CID 119509840
3-ethyl-N-(2-methoxyethyl)-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 106611441
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-2-ynamide
CID 107990936
N-(2-hydroxyethyl)-3-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106613013
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide
CID 106611769

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 106611811) is N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide is COCCN(CC1CCCN1)C(=O)CCn1cncn1.
What is the InChIKey of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is FVDDPAVJPISYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-20-8-7-17(9-12-3-2-5-15-12)13(19)4-6-18-11-14-10-16-18/h10-12,15H,2-9H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 281.36 g/mol, XLogP of -0.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 106611811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).