N-hydroxy-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentanamide

C12H18N6O2 — CID 10265557

IUPACN-hydroxy-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentanamide
SMILESCNc1nc(C)nc2c(CCCCC(=O)NO)cnn12
InChIInChI=1S/C12H18N6O2/c1-8-15-11-9(5-3-4-6-10(19)17-20)7-14-18(11)12(13-2)16-8/h7,20H,3-6H2,1-2H3,(H,17,19)(H,13,15,16)
InChIKeyBFHKRNAGSQHCSE-UHFFFAOYSA-N
MW278.32 g/mol
LogP0.69
Rot. Bonds6

About N-hydroxy-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentanamide

N-hydroxy-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentanamide (PubChem CID 10265557) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is N-hydroxy-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentanamide.

Molecular Properties

Compound NameN-hydroxy-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentanamide
PubChem CID10265557
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC NameN-hydroxy-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentanamide
SMILESCNc1nc(C)nc2c(CCCCC(=O)NO)cnn12
InChIInChI=1S/C12H18N6O2/c1-8-15-11-9(5-3-4-6-10(19)17-20)7-14-18(11)12(13-2)16-8/h7,20H,3-6H2,1-2H3,(H,17,19)(H,13,15,16)
InChIKeyBFHKRNAGSQHCSE-UHFFFAOYSA-N
XLogP0.69
TPSA104.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-hydroxy-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentanamide?
The IUPAC name of N-hydroxy-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentanamide (CID 10265557) is N-hydroxy-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentanamide.
What is the SMILES notation for N-hydroxy-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentanamide?
The canonical SMILES for N-hydroxy-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentanamide is CNc1nc(C)nc2c(CCCCC(=O)NO)cnn12.
What is the InChIKey of N-hydroxy-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentanamide?
The InChIKey is BFHKRNAGSQHCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-8-15-11-9(5-3-4-6-10(19)17-20)7-14-18(11)12(13-2)16-8/h7,20H,3-6H2,1-2H3,(H,17,19)(H,13,15,16).
What are the key properties of N-hydroxy-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentanamide?
N-hydroxy-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentanamide has a molecular weight of 278.32 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]pentanamide is sourced from PubChem (CID 10265557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).