N-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide

C9H17N5O2 — CID 62118069

IUPACN-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide
SMILESCOCCNC(=O)CNCc1nncn1C
InChIInChI=1S/C9H17N5O2/c1-14-7-12-13-8(14)5-10-6-9(15)11-3-4-16-2/h7,10H,3-6H2,1-2H3,(H,11,15)
InChIKeyFMZXKTANFAOODK-UHFFFAOYSA-N
MW227.27 g/mol
LogP-1.33
Rot. Bonds7

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

N-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide (PubChem CID 62118069) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide
PubChem CID62118069
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC NameN-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide
SMILESCOCCNC(=O)CNCc1nncn1C
InChIInChI=1S/C9H17N5O2/c1-14-7-12-13-8(14)5-10-6-9(15)11-3-4-16-2/h7,10H,3-6H2,1-2H3,(H,11,15)
InChIKeyFMZXKTANFAOODK-UHFFFAOYSA-N
XLogP-1.33
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide (CID 62118069) is N-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide is COCCNC(=O)CNCc1nncn1C.
What is the InChIKey of N-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide?
The InChIKey is FMZXKTANFAOODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-14-7-12-13-8(14)5-10-6-9(15)11-3-4-16-2/h7,10H,3-6H2,1-2H3,(H,11,15).
What are the key properties of N-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide?
N-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide has a molecular weight of 227.27 g/mol, XLogP of -1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide is sourced from PubChem (CID 62118069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).