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

C13H23N5O — CID 74244844

IUPACN-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCN1CCCC1CCNC(=O)CCc1nncn1C
InChIInChI=1S/C13H23N5O/c1-17-9-3-4-11(17)7-8-14-13(19)6-5-12-16-15-10-18(12)2/h10-11H,3-9H2,1-2H3,(H,14,19)
InChIKeyHXSDQNWGHYGMCT-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.35
Rot. Bonds6

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

N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide (PubChem CID 74244844) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
PubChem CID74244844
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCN1CCCC1CCNC(=O)CCc1nncn1C
InChIInChI=1S/C13H23N5O/c1-17-9-3-4-11(17)7-8-14-13(19)6-5-12-16-15-10-18(12)2/h10-11H,3-9H2,1-2H3,(H,14,19)
InChIKeyHXSDQNWGHYGMCT-UHFFFAOYSA-N
XLogP0.35
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide
CID 45199342
N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 53504233
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 53505347
4-acetamido-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]butanamide
CID 53514334
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 53517601
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]butanamide
CID 60763780
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-[2-(2-oxoazepan-1-yl)ethyl]urea
CID 71892934
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-(2-pyrrolidin-1-ylethyl)urea
CID 71893996
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(2-oxoazepan-1-yl)propyl]urea
CID 71894045
N-[1-(4-cyclopentyl-4H-1,2,4-triazol-3-yl)ethyl]-1-isopropyl-4-piperidinecarboxamide
CID 72936434
N-methyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 110196063
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)acetamide
CID 72885086

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide (CID 74244844) is N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide is CN1CCCC1CCNC(=O)CCc1nncn1C.
What is the InChIKey of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is HXSDQNWGHYGMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-17-9-3-4-11(17)7-8-14-13(19)6-5-12-16-15-10-18(12)2/h10-11H,3-9H2,1-2H3,(H,14,19).
What are the key properties of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 265.36 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 74244844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).