2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide

C11H18N6O — CID 54968497

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
SMILESNc1ncn(CC(=O)NC2CCN3CCCC23)n1
InChIInChI=1S/C11H18N6O/c12-11-13-7-17(15-11)6-10(18)14-8-3-5-16-4-1-2-9(8)16/h7-9H,1-6H2,(H2,12,15)(H,14,18)
InChIKeyQDVGTUWSLIYECD-UHFFFAOYSA-N
MW250.31 g/mol
LogP-0.79
Rot. Bonds3

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide (PubChem CID 54968497) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
PubChem CID54968497
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
SMILESNc1ncn(CC(=O)NC2CCN3CCCC23)n1
InChIInChI=1S/C11H18N6O/c12-11-13-7-17(15-11)6-10(18)14-8-3-5-16-4-1-2-9(8)16/h7-9H,1-6H2,(H2,12,15)(H,14,18)
InChIKeyQDVGTUWSLIYECD-UHFFFAOYSA-N
XLogP-0.79
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide (CID 54968497) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide is Nc1ncn(CC(=O)NC2CCN3CCCC23)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide?
The InChIKey is QDVGTUWSLIYECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c12-11-13-7-17(15-11)6-10(18)14-8-3-5-16-4-1-2-9(8)16/h7-9H,1-6H2,(H2,12,15)(H,14,18).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide has a molecular weight of 250.31 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide is sourced from PubChem (CID 54968497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).