2-(3-amino-1,2,4-triazol-1-yl)-N-(2-cyclopropyloxolan-3-yl)acetamide

C11H17N5O2 — CID 114118434

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(2-cyclopropyloxolan-3-yl)acetamide
SMILESNc1ncn(CC(=O)NC2CCOC2C2CC2)n1
InChIInChI=1S/C11H17N5O2/c12-11-13-6-16(15-11)5-9(17)14-8-3-4-18-10(8)7-1-2-7/h6-8,10H,1-5H2,(H2,12,15)(H,14,17)
InChIKeyCOCIWMWZAVSISK-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.46
Rot. Bonds4

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-cyclopropyloxolan-3-yl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(2-cyclopropyloxolan-3-yl)acetamide (PubChem CID 114118434) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-cyclopropyloxolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-cyclopropyloxolan-3-yl)acetamide
PubChem CID114118434
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-cyclopropyloxolan-3-yl)acetamide
SMILESNc1ncn(CC(=O)NC2CCOC2C2CC2)n1
InChIInChI=1S/C11H17N5O2/c12-11-13-6-16(15-11)5-9(17)14-8-3-4-18-10(8)7-1-2-7/h6-8,10H,1-5H2,(H2,12,15)(H,14,17)
InChIKeyCOCIWMWZAVSISK-UHFFFAOYSA-N
XLogP-0.46
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.46
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-cyclopropyloxolan-3-yl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-cyclopropyloxolan-3-yl)acetamide (CID 114118434) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-cyclopropyloxolan-3-yl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-cyclopropyloxolan-3-yl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-cyclopropyloxolan-3-yl)acetamide is Nc1ncn(CC(=O)NC2CCOC2C2CC2)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-cyclopropyloxolan-3-yl)acetamide?
The InChIKey is COCIWMWZAVSISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c12-11-13-6-16(15-11)5-9(17)14-8-3-4-18-10(8)7-1-2-7/h6-8,10H,1-5H2,(H2,12,15)(H,14,17).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-cyclopropyloxolan-3-yl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-cyclopropyloxolan-3-yl)acetamide has a molecular weight of 251.29 g/mol, XLogP of -0.46, 4 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-cyclopropyloxolan-3-yl)acetamide is sourced from PubChem (CID 114118434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).