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

C13H23N5O — CID 80683107

IUPACN-cyclohexyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
SMILESCn1cnc(CCNCC(=O)NC2CCCCC2)n1
InChIInChI=1S/C13H23N5O/c1-18-10-15-12(17-18)7-8-14-9-13(19)16-11-5-3-2-4-6-11/h10-11,14H,2-9H2,1H3,(H,16,19)
InChIKeyVPUSFKNCIASSNG-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.40
Rot. Bonds6

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

N-cyclohexyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide (PubChem CID 80683107) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
PubChem CID80683107
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-cyclohexyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
SMILESCn1cnc(CCNCC(=O)NC2CCCCC2)n1
InChIInChI=1S/C13H23N5O/c1-18-10-15-12(17-18)7-8-14-9-13(19)16-11-5-3-2-4-6-11/h10-11,14H,2-9H2,1H3,(H,16,19)
InChIKeyVPUSFKNCIASSNG-UHFFFAOYSA-N
XLogP0.40
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.40
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-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine
CID 80681774
N-cyclohexyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
CID 114183997
N-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide
CID 80688588
N-cycloheptyl-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide
CID 102805314
N-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide
CID 54951795
N-cyclohexyl-2-(hexadecylamino)acetamide
CID 54808904
2-(1-methyl-1,2,4-triazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 107911766
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxobutanamide
CID 80682025
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 115688654
3-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
CID 115688762
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide
CID 43553526
N-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide
CID 63964270

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
The IUPAC name of N-cyclohexyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide (CID 80683107) is N-cyclohexyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide is Cn1cnc(CCNCC(=O)NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
The InChIKey is VPUSFKNCIASSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-18-10-15-12(17-18)7-8-14-9-13(19)16-11-5-3-2-4-6-11/h10-11,14H,2-9H2,1H3,(H,16,19).
What are the key properties of N-cyclohexyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
N-cyclohexyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide is sourced from PubChem (CID 80683107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).