4-[4-[(7-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]-N-hydroxybutanamide

C15H15ClN6O4 — CID 137306424

IUPAC4-[4-[(7-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]-N-hydroxybutanamide
SMILESO=Nc1c(O)n(Cc2cn(CCCC(=O)NO)nn2)c2c(Cl)cccc12
InChIInChI=1S/C15H15ClN6O4/c16-11-4-1-3-10-13(19-26)15(24)22(14(10)11)8-9-7-21(20-17-9)6-2-5-12(23)18-25/h1,3-4,7,24-25H,2,5-6,8H2,(H,18,23)
InChIKeyRCTYPJMVVHUOJR-UHFFFAOYSA-N
MW378.78 g/mol
LogP2.32
Rot. Bonds7

About 4-[4-[(7-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]-N-hydroxybutanamide

4-[4-[(7-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]-N-hydroxybutanamide (PubChem CID 137306424) has the molecular formula C15H15ClN6O4 and a molecular weight of 378.78 g/mol. Its IUPAC name is 4-[4-[(7-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[4-[(7-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]-N-hydroxybutanamide
PubChem CID137306424
Molecular FormulaC15H15ClN6O4
Molecular Weight378.78 g/mol
Exact Mass378.08
IUPAC Name4-[4-[(7-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]-N-hydroxybutanamide
SMILESO=Nc1c(O)n(Cc2cn(CCCC(=O)NO)nn2)c2c(Cl)cccc12
InChIInChI=1S/C15H15ClN6O4/c16-11-4-1-3-10-13(19-26)15(24)22(14(10)11)8-9-7-21(20-17-9)6-2-5-12(23)18-25/h1,3-4,7,24-25H,2,5-6,8H2,(H,18,23)
InChIKeyRCTYPJMVVHUOJR-UHFFFAOYSA-N
XLogP2.32
TPSA134.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.78
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-[[4-[(7-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 142749496
4-[[4-[(5-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]methyl]-N-hydroxybenzamide
CID 137224526
N-benzyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
CID 119055260
5-[1-[(2-bromo-3-methoxyphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide
CID 141272283
3-[4-(aminomethyl)triazol-1-yl]-N-(2-chlorophenyl)propanamide
CID 55029571
N-[7-(hydroxyamino)-7-oxoheptyl]-4-[[1-[[3-[[4-[[4-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]anilino]methyl]triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methylamino]benzamide
CID 24994654
N-hydroxy-7-[4-(4-pyridin-4-ylphenyl)triazol-1-yl]heptanamide
CID 44585272
4-[4-(phenoxymethyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 119055250
4-(bromomethyl)-1-[2-(2,6-dichlorophenoxy)ethyl]triazole
CID 62402131
2-[[1-[6-[(4-anilino-4-oxobutan-2-yl)amino]-6-oxohexyl]triazol-4-yl]methyl]pyrazole-3-carboxylic acid
CID 166325773
5-[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]pentanoic acid
CID 107309540
4,4-dimethyl-N-[[1-(5-oxopentyl)triazol-4-yl]methyl]pentanamide
CID 155323027

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(7-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]-N-hydroxybutanamide?
The IUPAC name of 4-[4-[(7-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]-N-hydroxybutanamide (CID 137306424) is 4-[4-[(7-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]-N-hydroxybutanamide.
What is the SMILES notation for 4-[4-[(7-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]-N-hydroxybutanamide?
The canonical SMILES for 4-[4-[(7-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]-N-hydroxybutanamide is O=Nc1c(O)n(Cc2cn(CCCC(=O)NO)nn2)c2c(Cl)cccc12.
What is the InChIKey of 4-[4-[(7-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]-N-hydroxybutanamide?
The InChIKey is RCTYPJMVVHUOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O4/c16-11-4-1-3-10-13(19-26)15(24)22(14(10)11)8-9-7-21(20-17-9)6-2-5-12(23)18-25/h1,3-4,7,24-25H,2,5-6,8H2,(H,18,23).
What are the key properties of 4-[4-[(7-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]-N-hydroxybutanamide?
4-[4-[(7-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]-N-hydroxybutanamide has a molecular weight of 378.78 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(7-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]-N-hydroxybutanamide is sourced from PubChem (CID 137306424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).