2-[4-(2-aminoethyl)triazol-1-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide

C13H24N6O2 — CID 116642302

IUPAC2-[4-(2-aminoethyl)triazol-1-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)Cn1cc(CCN)nn1
InChIInChI=1S/C13H24N6O2/c1-4-18(8-12(20)15-10(2)3)13(21)9-19-7-11(5-6-14)16-17-19/h7,10H,4-6,8-9,14H2,1-3H3,(H,15,20)
InChIKeyJLUSDTLPFIEBDG-UHFFFAOYSA-N
MW296.38 g/mol
LogP-0.85
Rot. Bonds8

About 2-[4-(2-aminoethyl)triazol-1-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide

2-[4-(2-aminoethyl)triazol-1-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide (PubChem CID 116642302) has the molecular formula C13H24N6O2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)triazol-1-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)triazol-1-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
PubChem CID116642302
Molecular FormulaC13H24N6O2
Molecular Weight296.38 g/mol
Exact Mass296.20
IUPAC Name2-[4-(2-aminoethyl)triazol-1-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)Cn1cc(CCN)nn1
InChIInChI=1S/C13H24N6O2/c1-4-18(8-12(20)15-10(2)3)13(21)9-19-7-11(5-6-14)16-17-19/h7,10H,4-6,8-9,14H2,1-3H3,(H,15,20)
InChIKeyJLUSDTLPFIEBDG-UHFFFAOYSA-N
XLogP-0.85
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)triazol-1-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The IUPAC name of 2-[4-(2-aminoethyl)triazol-1-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide (CID 116642302) is 2-[4-(2-aminoethyl)triazol-1-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)triazol-1-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)triazol-1-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide is CCN(CC(=O)NC(C)C)C(=O)Cn1cc(CCN)nn1.
What is the InChIKey of 2-[4-(2-aminoethyl)triazol-1-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The InChIKey is JLUSDTLPFIEBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O2/c1-4-18(8-12(20)15-10(2)3)13(21)9-19-7-11(5-6-14)16-17-19/h7,10H,4-6,8-9,14H2,1-3H3,(H,15,20).
What are the key properties of 2-[4-(2-aminoethyl)triazol-1-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
2-[4-(2-aminoethyl)triazol-1-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide has a molecular weight of 296.38 g/mol, XLogP of -0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)triazol-1-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 116642302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).