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

C11H19N5O — CID 113267423

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESCCn1cnnc1CNC(=O)CC1CCCN1
InChIInChI=1S/C11H19N5O/c1-2-16-8-14-15-10(16)7-13-11(17)6-9-4-3-5-12-9/h8-9,12H,2-7H2,1H3,(H,13,17)
InChIKeyZHUGMRYOIHBSSQ-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.06
Rot. Bonds5

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

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 113267423) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID113267423
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESCCn1cnnc1CNC(=O)CC1CCCN1
InChIInChI=1S/C11H19N5O/c1-2-16-8-14-15-10(16)7-13-11(17)6-9-4-3-5-12-9/h8-9,12H,2-7H2,1H3,(H,13,17)
InChIKeyZHUGMRYOIHBSSQ-UHFFFAOYSA-N
XLogP0.06
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methylpiperidin-2-yl)acetamide
CID 106303216
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylacetamide
CID 62117188
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 106302492
2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103813771
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 63330156
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanesulfonamide
CID 106303557
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 103813840
2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 106302145
(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 61164033
3-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid
CID 106303640
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 106303214
2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 106302763

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide (CID 113267423) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide is CCn1cnnc1CNC(=O)CC1CCCN1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is ZHUGMRYOIHBSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-2-16-8-14-15-10(16)7-13-11(17)6-9-4-3-5-12-9/h8-9,12H,2-7H2,1H3,(H,13,17).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 237.31 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 113267423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).