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

C13H21N5O — CID 73994627

IUPACN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-pyrrolidin-3-ylacetamide
SMILESCC(=O)N(CC1=NN=C(N1C)C2CC2)C3CCNC3
InChIInChI=1S/C13H21N5O/c1-9(19)18(11-5-6-14-7-11)8-12-15-16-13(17(12)2)10-3-4-10/h10-11,14H,3-8H2,1-2H3
InChIKeyBKAVOQCLWMJLQW-UHFFFAOYSA-N
MW263.34 g/mol
LogP-0.90
Rot. Bonds4

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

N-[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(pyrrolidin-3-yl)acetamide (PubChem CID 73994627) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(pyrrolidin-3-yl)acetamide
PubChem CID73994627
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-pyrrolidin-3-ylacetamide
SMILESCC(=O)N(CC1=NN=C(N1C)C2CC2)C3CCNC3
InChIInChI=1S/C13H21N5O/c1-9(19)18(11-5-6-14-7-11)8-12-15-16-13(17(12)2)10-3-4-10/h10-11,14H,3-8H2,1-2H3
InChIKeyBKAVOQCLWMJLQW-UHFFFAOYSA-N
XLogP-0.90
TPSA63.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity346

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(pyrrolidin-3-yl)acetamide?
The IUPAC name of N-[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(pyrrolidin-3-yl)acetamide (CID 73994627) is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(pyrrolidin-3-yl)acetamide?
The canonical SMILES for N-[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(pyrrolidin-3-yl)acetamide is CC(=O)N(CC1=NN=C(N1C)C2CC2)C3CCNC3.
What is the InChIKey of N-[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(pyrrolidin-3-yl)acetamide?
The InChIKey is BKAVOQCLWMJLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9(19)18(11-5-6-14-7-11)8-12-15-16-13(17(12)2)10-3-4-10/h10-11,14H,3-8H2,1-2H3.
What are the key properties of N-[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(pyrrolidin-3-yl)acetamide?
N-[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(pyrrolidin-3-yl)acetamide has a molecular weight of 263.34 g/mol, XLogP of -0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(pyrrolidin-3-yl)acetamide is sourced from PubChem (CID 73994627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).