N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide

C16H27N5O2 — CID 71872424

IUPACN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide
SMILESCOCCN1CCC(N(Cc2nnc(C3CC3)n2C)C(C)=O)C1
InChIInChI=1S/C16H27N5O2/c1-12(22)21(14-6-7-20(10-14)8-9-23-3)11-15-17-18-16(19(15)2)13-4-5-13/h13-14H,4-11H2,1-3H3
InChIKeyDGLCNADAKMYFHS-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.76
Rot. Bonds7

About N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide

N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide (PubChem CID 71872424) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide
PubChem CID71872424
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide
SMILESCOCCN1CCC(N(Cc2nnc(C3CC3)n2C)C(C)=O)C1
InChIInChI=1S/C16H27N5O2/c1-12(22)21(14-6-7-20(10-14)8-9-23-3)11-15-17-18-16(19(15)2)13-4-5-13/h13-14H,4-11H2,1-3H3
InChIKeyDGLCNADAKMYFHS-UHFFFAOYSA-N
XLogP0.76
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide (CID 71872424) is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide is COCCN1CCC(N(Cc2nnc(C3CC3)n2C)C(C)=O)C1.
What is the InChIKey of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is DGLCNADAKMYFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-12(22)21(14-6-7-20(10-14)8-9-23-3)11-15-17-18-16(19(15)2)13-4-5-13/h13-14H,4-11H2,1-3H3.
What are the key properties of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide?
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 321.43 g/mol, XLogP of 0.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71872424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).