N-[2-(ethylamino)ethyl]-N-methyl-2-(1-methyl-1,2,4-triazol-3-yl)acetamide

C10H19N5O — CID 143058912

IUPACN-[2-(ethylamino)ethyl]-N-methyl-2-(1-methyl-1,2,4-triazol-3-yl)acetamide
SMILESCCNCCN(C)C(=O)Cc1ncn(C)n1
InChIInChI=1S/C10H19N5O/c1-4-11-5-6-14(2)10(16)7-9-12-8-15(3)13-9/h8,11H,4-7H2,1-3H3
InChIKeyIORNRXKUDGNWOF-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.57
Rot. Bonds6

About N-[2-(ethylamino)ethyl]-N-methyl-2-(1-methyl-1,2,4-triazol-3-yl)acetamide

N-[2-(ethylamino)ethyl]-N-methyl-2-(1-methyl-1,2,4-triazol-3-yl)acetamide (PubChem CID 143058912) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-N-methyl-2-(1-methyl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-N-methyl-2-(1-methyl-1,2,4-triazol-3-yl)acetamide
PubChem CID143058912
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN-[2-(ethylamino)ethyl]-N-methyl-2-(1-methyl-1,2,4-triazol-3-yl)acetamide
SMILESCCNCCN(C)C(=O)Cc1ncn(C)n1
InChIInChI=1S/C10H19N5O/c1-4-11-5-6-14(2)10(16)7-9-12-8-15(3)13-9/h8,11H,4-7H2,1-3H3
InChIKeyIORNRXKUDGNWOF-UHFFFAOYSA-N
XLogP-0.57
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-N-methyl-2-(1-methyl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-N-methyl-2-(1-methyl-1,2,4-triazol-3-yl)acetamide (CID 143058912) is N-[2-(ethylamino)ethyl]-N-methyl-2-(1-methyl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-N-methyl-2-(1-methyl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-N-methyl-2-(1-methyl-1,2,4-triazol-3-yl)acetamide is CCNCCN(C)C(=O)Cc1ncn(C)n1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-N-methyl-2-(1-methyl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is IORNRXKUDGNWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-4-11-5-6-14(2)10(16)7-9-12-8-15(3)13-9/h8,11H,4-7H2,1-3H3.
What are the key properties of N-[2-(ethylamino)ethyl]-N-methyl-2-(1-methyl-1,2,4-triazol-3-yl)acetamide?
N-[2-(ethylamino)ethyl]-N-methyl-2-(1-methyl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 225.30 g/mol, XLogP of -0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-N-methyl-2-(1-methyl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 143058912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).