3-[5-(aminomethyl)triazol-1-yl]-N-hydroxy-4-naphthalen-2-ylbutanamide

C17H19N5O2 — CID 154997008

IUPAC3-[5-(aminomethyl)triazol-1-yl]-N-hydroxy-4-naphthalen-2-ylbutanamide
SMILESNCc1cnnn1C(CC(=O)NO)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H19N5O2/c18-10-16-11-19-21-22(16)15(9-17(23)20-24)8-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,11,15,24H,8-10,18H2,(H,20,23)
InChIKeyBCYPIWUOUUBDIN-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.57
Rot. Bonds6

About 3-[5-(aminomethyl)triazol-1-yl]-N-hydroxy-4-naphthalen-2-ylbutanamide

3-[5-(aminomethyl)triazol-1-yl]-N-hydroxy-4-naphthalen-2-ylbutanamide (PubChem CID 154997008) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[5-(aminomethyl)triazol-1-yl]-N-hydroxy-4-naphthalen-2-ylbutanamide.

Molecular Properties

Compound Name3-[5-(aminomethyl)triazol-1-yl]-N-hydroxy-4-naphthalen-2-ylbutanamide
PubChem CID154997008
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-[5-(aminomethyl)triazol-1-yl]-N-hydroxy-4-naphthalen-2-ylbutanamide
SMILESNCc1cnnn1C(CC(=O)NO)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H19N5O2/c18-10-16-11-19-21-22(16)15(9-17(23)20-24)8-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,11,15,24H,8-10,18H2,(H,20,23)
InChIKeyBCYPIWUOUUBDIN-UHFFFAOYSA-N
XLogP1.57
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[5-(aminomethyl)triazol-1-yl]-N-hydroxy-4-naphthalen-2-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-4-naphthalen-2-yl-3-[4-(phenylmethoxymethyl)triazol-1-yl]butanamide
CID 154997077
N-[[1-[(2R)-4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]triazol-4-yl]methyl]pyridine-4-carboxamide
CID 155008888
N-[1-[[1-(2-aminoethylamino)-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 75641285
(3R)-N-hydroxy-4-naphthalen-2-yl-3-[4-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]butanamide
CID 164530799
N'-hydroxy-N-[(2S)-1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 87854664
(2R)-N-[(2S)-1-(benzylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 87854627
(3S)-3-amino-4-naphthalen-2-ylbutanoic acid
CID 2761622
(3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid
CID 67360770
propan-2-yl 3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
CID 156677951
2-methyl-3-naphthalen-2-ylpropane-1,1-diol
CID 20647932
3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid
CID 139753355
methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
CID 126517010

Frequently Asked Questions

What is the IUPAC name of 3-[5-(aminomethyl)triazol-1-yl]-N-hydroxy-4-naphthalen-2-ylbutanamide?
The IUPAC name of 3-[5-(aminomethyl)triazol-1-yl]-N-hydroxy-4-naphthalen-2-ylbutanamide (CID 154997008) is 3-[5-(aminomethyl)triazol-1-yl]-N-hydroxy-4-naphthalen-2-ylbutanamide.
What is the SMILES notation for 3-[5-(aminomethyl)triazol-1-yl]-N-hydroxy-4-naphthalen-2-ylbutanamide?
The canonical SMILES for 3-[5-(aminomethyl)triazol-1-yl]-N-hydroxy-4-naphthalen-2-ylbutanamide is NCc1cnnn1C(CC(=O)NO)Cc1ccc2ccccc2c1.
What is the InChIKey of 3-[5-(aminomethyl)triazol-1-yl]-N-hydroxy-4-naphthalen-2-ylbutanamide?
The InChIKey is BCYPIWUOUUBDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c18-10-16-11-19-21-22(16)15(9-17(23)20-24)8-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,11,15,24H,8-10,18H2,(H,20,23).
What are the key properties of 3-[5-(aminomethyl)triazol-1-yl]-N-hydroxy-4-naphthalen-2-ylbutanamide?
3-[5-(aminomethyl)triazol-1-yl]-N-hydroxy-4-naphthalen-2-ylbutanamide has a molecular weight of 325.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(aminomethyl)triazol-1-yl]-N-hydroxy-4-naphthalen-2-ylbutanamide is sourced from PubChem (CID 154997008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).