N-(2-hydroxyethyl)-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide

C9H16N4O2 — CID 43572985

IUPACN-(2-hydroxyethyl)-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(C)N(CCO)C(=O)Cn1cncn1
InChIInChI=1S/C9H16N4O2/c1-8(2)13(3-4-14)9(15)5-12-7-10-6-11-12/h6-8,14H,3-5H2,1-2H3
InChIKeyALYAKMQTCZAMIN-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.49
Rot. Bonds5

About N-(2-hydroxyethyl)-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide

N-(2-hydroxyethyl)-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 43572985) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID43572985
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-(2-hydroxyethyl)-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(C)N(CCO)C(=O)Cn1cncn1
InChIInChI=1S/C9H16N4O2/c1-8(2)13(3-4-14)9(15)5-12-7-10-6-11-12/h6-8,14H,3-5H2,1-2H3
InChIKeyALYAKMQTCZAMIN-UHFFFAOYSA-N
XLogP-0.49
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide (CID 43572985) is N-(2-hydroxyethyl)-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide is CC(C)N(CCO)C(=O)Cn1cncn1.
What is the InChIKey of N-(2-hydroxyethyl)-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is ALYAKMQTCZAMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-8(2)13(3-4-14)9(15)5-12-7-10-6-11-12/h6-8,14H,3-5H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide?
N-(2-hydroxyethyl)-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 212.25 g/mol, XLogP of -0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 43572985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).