N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide

C17H24N6O3 — CID 175935827

IUPACN-[4-[[4-(aminomethyl)triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide
SMILESCC(C)CC(C(=O)NO)C(=O)Nc1ccc(Cn2cc(CN)nn2)cc1
InChIInChI=1S/C17H24N6O3/c1-11(2)7-15(17(25)21-26)16(24)19-13-5-3-12(4-6-13)9-23-10-14(8-18)20-22-23/h3-6,10-11,15,26H,7-9,18H2,1-2H3,(H,19,24)(H,21,25)
InChIKeyWLVGUDGMEYGPKK-UHFFFAOYSA-N
MW360.42 g/mol
LogP0.89
Rot. Bonds8

About N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide

N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide (PubChem CID 175935827) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide.

Molecular Properties

Compound NameN-[4-[[4-(aminomethyl)triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide
PubChem CID175935827
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC NameN-[4-[[4-(aminomethyl)triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide
SMILESCC(C)CC(C(=O)NO)C(=O)Nc1ccc(Cn2cc(CN)nn2)cc1
InChIInChI=1S/C17H24N6O3/c1-11(2)7-15(17(25)21-26)16(24)19-13-5-3-12(4-6-13)9-23-10-14(8-18)20-22-23/h3-6,10-11,15,26H,7-9,18H2,1-2H3,(H,19,24)(H,21,25)
InChIKeyWLVGUDGMEYGPKK-UHFFFAOYSA-N
XLogP0.89
TPSA135.16 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide?
The IUPAC name of N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide (CID 175935827) is N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide.
What is the SMILES notation for N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide?
The canonical SMILES for N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide is CC(C)CC(C(=O)NO)C(=O)Nc1ccc(Cn2cc(CN)nn2)cc1.
What is the InChIKey of N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide?
The InChIKey is WLVGUDGMEYGPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-11(2)7-15(17(25)21-26)16(24)19-13-5-3-12(4-6-13)9-23-10-14(8-18)20-22-23/h3-6,10-11,15,26H,7-9,18H2,1-2H3,(H,19,24)(H,21,25).
What are the key properties of N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide?
N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide has a molecular weight of 360.42 g/mol, XLogP of 0.89, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide is sourced from PubChem (CID 175935827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).