2-pyrrolidin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide

C8H13N5O — CID 18873856

IUPAC2-pyrrolidin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(CN1CCCC1)Nc1ncn[nH]1
InChIInChI=1S/C8H13N5O/c14-7(5-13-3-1-2-4-13)11-8-9-6-10-12-8/h6H,1-5H2,(H2,9,10,11,12,14)
InChIKeyMCEFCZTVIGIQPP-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.16
Rot. Bonds3

About 2-pyrrolidin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide

2-pyrrolidin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 18873856) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID18873856
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-pyrrolidin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(CN1CCCC1)Nc1ncn[nH]1
InChIInChI=1S/C8H13N5O/c14-7(5-13-3-1-2-4-13)11-8-9-6-10-12-8/h6H,1-5H2,(H2,9,10,11,12,14)
InChIKeyMCEFCZTVIGIQPP-UHFFFAOYSA-N
XLogP-0.16
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-pyrrolidin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 18873856) is 2-pyrrolidin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-pyrrolidin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(CN1CCCC1)Nc1ncn[nH]1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is MCEFCZTVIGIQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c14-7(5-13-3-1-2-4-13)11-8-9-6-10-12-8/h6H,1-5H2,(H2,9,10,11,12,14).
What are the key properties of 2-pyrrolidin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-pyrrolidin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 195.23 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 18873856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).