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

C12H23N5O — CID 55038244

IUPACN-(3-methylbutyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
SMILESCC(C)CCNC(=O)CNC(C)c1nncn1C
InChIInChI=1S/C12H23N5O/c1-9(2)5-6-13-11(18)7-14-10(3)12-16-15-8-17(12)4/h8-10,14H,5-7H2,1-4H3,(H,13,18)
InChIKeyDMMSJCUWMDDEMN-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.63
Rot. Bonds7

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

N-(3-methylbutyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide (PubChem CID 55038244) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
PubChem CID55038244
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC NameN-(3-methylbutyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
SMILESCC(C)CCNC(=O)CNC(C)c1nncn1C
InChIInChI=1S/C12H23N5O/c1-9(2)5-6-13-11(18)7-14-10(3)12-16-15-8-17(12)4/h8-10,14H,5-7H2,1-4H3,(H,13,18)
InChIKeyDMMSJCUWMDDEMN-UHFFFAOYSA-N
XLogP0.63
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 62118292
N-(3-methylbutyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 63332782
N,N-diethyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 62119394
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
CID 55211655
2-[[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 62117206
1-(azepan-1-yl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanone
CID 62118099
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
1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetyl]piperidine-4-carboxylic acid
CID 103248696
3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanenitrile
CID 62117721
N-(3-methylbutyl)-2-(pentan-3-ylamino)acetamide
CID 60672078
2-ethyl-2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]butan-1-ol
CID 81412437

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide (CID 55038244) is N-(3-methylbutyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide is CC(C)CCNC(=O)CNC(C)c1nncn1C.
What is the InChIKey of N-(3-methylbutyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
The InChIKey is DMMSJCUWMDDEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-9(2)5-6-13-11(18)7-14-10(3)12-16-15-8-17(12)4/h8-10,14H,5-7H2,1-4H3,(H,13,18).
What are the key properties of N-(3-methylbutyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
N-(3-methylbutyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide has a molecular weight of 253.35 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide is sourced from PubChem (CID 55038244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).