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

C11H21N5O — CID 55201136

IUPACN-butyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
SMILESCCCCNC(=O)CNCCc1nncn1C
InChIInChI=1S/C11H21N5O/c1-3-4-6-13-11(17)8-12-7-5-10-15-14-9-16(10)2/h9,12H,3-8H2,1-2H3,(H,13,17)
InChIKeyUPEUHWGORBIIOR-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.14
Rot. Bonds8

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

N-butyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide (PubChem CID 55201136) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N-butyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
PubChem CID55201136
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN-butyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
SMILESCCCCNC(=O)CNCCc1nncn1C
InChIInChI=1S/C11H21N5O/c1-3-4-6-13-11(17)8-12-7-5-10-15-14-9-16(10)2/h9,12H,3-8H2,1-2H3,(H,13,17)
InChIKeyUPEUHWGORBIIOR-UHFFFAOYSA-N
XLogP-0.14
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 63332782
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63330181
N-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 63332608
2-[[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 63330525
3-ethylsulfonyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 65092737
ethyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoacetate
CID 63330652
N-(4-methoxyphenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 63332382
1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 116655956
ethyl 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
CID 63332702
N-[2-(diethylamino)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 74245822
2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 103251288
2-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 107905239

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
The IUPAC name of N-butyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide (CID 55201136) is N-butyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide.
What is the SMILES notation for N-butyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
The canonical SMILES for N-butyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide is CCCCNC(=O)CNCCc1nncn1C.
What is the InChIKey of N-butyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
The InChIKey is UPEUHWGORBIIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-3-4-6-13-11(17)8-12-7-5-10-15-14-9-16(10)2/h9,12H,3-8H2,1-2H3,(H,13,17).
What are the key properties of N-butyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
N-butyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide has a molecular weight of 239.32 g/mol, XLogP of -0.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide is sourced from PubChem (CID 55201136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).