6-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexanamide

C11H21N5O — CID 105056213

IUPAC6-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexanamide
SMILESCCn1cnnc1CNC(=O)CCCCCN
InChIInChI=1S/C11H21N5O/c1-2-16-9-14-15-10(16)8-13-11(17)6-4-3-5-7-12/h9H,2-8,12H2,1H3,(H,13,17)
InChIKeyOGAZPKDXDXTKGC-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.43
Rot. Bonds8

About 6-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexanamide

6-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexanamide (PubChem CID 105056213) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexanamide
PubChem CID105056213
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name6-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexanamide
SMILESCCn1cnnc1CNC(=O)CCCCCN
InChIInChI=1S/C11H21N5O/c1-2-16-9-14-15-10(16)8-13-11(17)6-4-3-5-7-12/h9H,2-8,12H2,1H3,(H,13,17)
InChIKeyOGAZPKDXDXTKGC-UHFFFAOYSA-N
XLogP0.43
TPSA85.83 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 ≤ 50.43
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

2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 106302145
7-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]heptanamide
CID 119891057
3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylpropanamide
CID 103813792
2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103813771
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 106301572
N-carbamoyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]acetamide
CID 106302630
6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-6-oxohexanoic acid
CID 54895602
3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 119855008
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 113267423
3-amino-5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 106301578
5-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentanamide
CID 79237251
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide
CID 154774046

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexanamide?
The IUPAC name of 6-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexanamide (CID 105056213) is 6-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexanamide.
What is the SMILES notation for 6-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexanamide?
The canonical SMILES for 6-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexanamide is CCn1cnnc1CNC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexanamide?
The InChIKey is OGAZPKDXDXTKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-2-16-9-14-15-10(16)8-13-11(17)6-4-3-5-7-12/h9H,2-8,12H2,1H3,(H,13,17).
What are the key properties of 6-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexanamide?
6-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexanamide has a molecular weight of 239.32 g/mol, XLogP of 0.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexanamide is sourced from PubChem (CID 105056213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).