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

C9H17N5O — CID 80683221

IUPACN,N-dimethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
SMILESCN(C)C(=O)CNCCc1ncn(C)n1
InChIInChI=1S/C9H17N5O/c1-13(2)9(15)6-10-5-4-8-11-7-14(3)12-8/h7,10H,4-6H2,1-3H3
InChIKeyHNCHWQBRNVAURO-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.96
Rot. Bonds5

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

N,N-dimethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide (PubChem CID 80683221) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
PubChem CID80683221
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC NameN,N-dimethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
SMILESCN(C)C(=O)CNCCc1ncn(C)n1
InChIInChI=1S/C9H17N5O/c1-13(2)9(15)6-10-5-4-8-11-7-14(3)12-8/h7,10H,4-6H2,1-3H3
InChIKeyHNCHWQBRNVAURO-UHFFFAOYSA-N
XLogP-0.96
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.96
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,N-dimethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide (CID 80683221) is N,N-dimethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide is CN(C)C(=O)CNCCc1ncn(C)n1.
What is the InChIKey of N,N-dimethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
The InChIKey is HNCHWQBRNVAURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-13(2)9(15)6-10-5-4-8-11-7-14(3)12-8/h7,10H,4-6H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
N,N-dimethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide has a molecular weight of 211.27 g/mol, XLogP of -0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide is sourced from PubChem (CID 80683221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).