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

C11H19N5O — CID 64519602

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1nc(CN(C)C(=O)CC2CCCN2)n[nH]1
InChIInChI=1S/C11H19N5O/c1-8-13-10(15-14-8)7-16(2)11(17)6-9-4-3-5-12-9/h9,12H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyUZBCQMQWHNYREP-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.21
Rot. Bonds4

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

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 64519602) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID64519602
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1nc(CN(C)C(=O)CC2CCCN2)n[nH]1
InChIInChI=1S/C11H19N5O/c1-8-13-10(15-14-8)7-16(2)11(17)6-9-4-3-5-12-9/h9,12H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyUZBCQMQWHNYREP-UHFFFAOYSA-N
XLogP0.21
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-piperidin-2-ylpropanamide
CID 64518835
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422308
(2S)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
CID 103814748
2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64519599
N-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372383
N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61370210
N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119681708
N,N-dimethyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66777504
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61364069
N-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61365638
N-methyl-N-(pyridin-2-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372384
N,4-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
CID 114424110

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide (CID 64519602) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide is Cc1nc(CN(C)C(=O)CC2CCCN2)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is UZBCQMQWHNYREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-8-13-10(15-14-8)7-16(2)11(17)6-9-4-3-5-12-9/h9,12H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 237.31 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 64519602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).