N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide

C12H22N6O2 — CID 66192745

IUPACN-(butylcarbamoyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
SMILESCCCCNC(=O)NC(=O)Cn1cc(CNCC)nn1
InChIInChI=1S/C12H22N6O2/c1-3-5-6-14-12(20)15-11(19)9-18-8-10(16-17-18)7-13-4-2/h8,13H,3-7,9H2,1-2H3,(H2,14,15,19,20)
InChIKeyHFQNBIGLOHAIJV-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.01
Rot. Bonds8

About N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide

N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide (PubChem CID 66192745) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
PubChem CID66192745
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC NameN-(butylcarbamoyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
SMILESCCCCNC(=O)NC(=O)Cn1cc(CNCC)nn1
InChIInChI=1S/C12H22N6O2/c1-3-5-6-14-12(20)15-11(19)9-18-8-10(16-17-18)7-13-4-2/h8,13H,3-7,9H2,1-2H3,(H2,14,15,19,20)
InChIKeyHFQNBIGLOHAIJV-UHFFFAOYSA-N
XLogP0.01
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
CID 66215047
N-(methylcarbamoyl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
CID 66192957
2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
CID 55029749
N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide
CID 66205021
2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide
CID 62054135
2-amino-3-[1-[2-(butylamino)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 116734900
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 62401323
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 66193488
N-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
CID 66192540
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 66194493
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 66214238
N-(3-chloro-4-methylphenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
CID 66194085

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide (CID 66192745) is N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide is CCCCNC(=O)NC(=O)Cn1cc(CNCC)nn1.
What is the InChIKey of N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide?
The InChIKey is HFQNBIGLOHAIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-3-5-6-14-12(20)15-11(19)9-18-8-10(16-17-18)7-13-4-2/h8,13H,3-7,9H2,1-2H3,(H2,14,15,19,20).
What are the key properties of N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide?
N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide has a molecular weight of 282.35 g/mol, XLogP of 0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 66192745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).