2-(3-amino-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide

C11H21N5O2 — CID 54994700

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCO)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C11H21N5O2/c1-3-9(4-2)16(5-6-17)10(18)7-15-8-13-11(12)14-15/h8-9,17H,3-7H2,1-2H3,(H2,12,14)
InChIKeyLAJUKGUDCMPFMW-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.13
Rot. Bonds7

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide (PubChem CID 54994700) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
PubChem CID54994700
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCO)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C11H21N5O2/c1-3-9(4-2)16(5-6-17)10(18)7-15-8-13-11(12)14-15/h8-9,17H,3-7H2,1-2H3,(H2,12,14)
InChIKeyLAJUKGUDCMPFMW-UHFFFAOYSA-N
XLogP-0.13
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.13
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-hydroxyethyl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide (CID 54994700) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide is CCC(CC)N(CCO)C(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide?
The InChIKey is LAJUKGUDCMPFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-3-9(4-2)16(5-6-17)10(18)7-15-8-13-11(12)14-15/h8-9,17H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide has a molecular weight of 255.32 g/mol, XLogP of -0.13, 7 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-hydroxyethyl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 54994700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).