N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide

C9H15N5O — CID 81478292

IUPACN-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NCC1CCCN1
InChIInChI=1S/C9H15N5O/c15-9(7-14-5-4-12-13-14)11-6-8-2-1-3-10-8/h4-5,8,10H,1-3,6-7H2,(H,11,15)
InChIKeyRGHBUTJJIMPKNF-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.85
Rot. Bonds4

About N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide

N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide (PubChem CID 81478292) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
PubChem CID81478292
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC NameN-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NCC1CCCN1
InChIInChI=1S/C9H15N5O/c15-9(7-14-5-4-12-13-14)11-6-8-2-1-3-10-8/h4-5,8,10H,1-3,6-7H2,(H,11,15)
InChIKeyRGHBUTJJIMPKNF-UHFFFAOYSA-N
XLogP-0.85
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(morpholin-3-ylmethyl)-2-(triazol-1-yl)acetamide
CID 103548678
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide
CID 114083895
1-[[(2R)-pyrrolidin-2-yl]methyl]triazole
CID 98042437
2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115348218
N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 106627006
2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
CID 122562256
N-(azepan-4-yl)-2-(triazol-1-yl)acetamide
CID 105059311
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide
CID 119075119
N-(2-pyrrolidin-2-ylethyl)-2-(tetrazol-1-yl)acetamide
CID 114793795
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2-(tetrazol-1-yl)acetamide
CID 104954996
N-(morpholin-3-ylmethyl)-3-(triazol-1-yl)propanamide
CID 103548648

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide (CID 81478292) is N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide is O=C(Cn1ccnn1)NCC1CCCN1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide?
The InChIKey is RGHBUTJJIMPKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c15-9(7-14-5-4-12-13-14)11-6-8-2-1-3-10-8/h4-5,8,10H,1-3,6-7H2,(H,11,15).
What are the key properties of N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide?
N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide has a molecular weight of 209.25 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 81478292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).