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

C8H15N5O — CID 62118292

IUPACN-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
SMILESCNC(=O)CNC(C)c1nncn1C
InChIInChI=1S/C8H15N5O/c1-6(10-4-7(14)9-2)8-12-11-5-13(8)3/h5-6,10H,4H2,1-3H3,(H,9,14)
InChIKeyZOYZEURYIKHMQQ-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.79
Rot. Bonds4

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

N-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide (PubChem CID 62118292) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is N-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
PubChem CID62118292
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC NameN-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
SMILESCNC(=O)CNC(C)c1nncn1C
InChIInChI=1S/C8H15N5O/c1-6(10-4-7(14)9-2)8-12-11-5-13(8)3/h5-6,10H,4H2,1-3H3,(H,9,14)
InChIKeyZOYZEURYIKHMQQ-UHFFFAOYSA-N
XLogP-0.79
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 55038244
N,N-diethyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 62119394
1-(azepan-1-yl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanone
CID 62118099
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
CID 55211655
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 62119574
1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetyl]piperidine-4-carboxylic acid
CID 103248696
methyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
CID 62118650
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 60837807
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-sulfanylidenepropanamide
CID 62117174
N-[(4-ethylphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43703003
N'-tert-butyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine
CID 107445034
3,3-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-1-amine
CID 62119018

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
The IUPAC name of N-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide (CID 62118292) is N-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide.
What is the SMILES notation for N-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
The canonical SMILES for N-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide is CNC(=O)CNC(C)c1nncn1C.
What is the InChIKey of N-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
The InChIKey is ZOYZEURYIKHMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-6(10-4-7(14)9-2)8-12-11-5-13(8)3/h5-6,10H,4H2,1-3H3,(H,9,14).
What are the key properties of N-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
N-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide has a molecular weight of 197.24 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide is sourced from PubChem (CID 62118292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).