5-(methylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one

C9H16N4O — CID 116555705

IUPAC5-(methylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
SMILESCNCCCC(=O)Cc1ncnn1C
InChIInChI=1S/C9H16N4O/c1-10-5-3-4-8(14)6-9-11-7-12-13(9)2/h7,10H,3-6H2,1-2H3
InChIKeyNYLZTNUWWVSSNX-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.07
Rot. Bonds6

About 5-(methylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one

5-(methylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one (PubChem CID 116555705) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-(methylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one.

Molecular Properties

Compound Name5-(methylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
PubChem CID116555705
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-(methylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
SMILESCNCCCC(=O)Cc1ncnn1C
InChIInChI=1S/C9H16N4O/c1-10-5-3-4-8(14)6-9-11-7-12-13(9)2/h7,10H,3-6H2,1-2H3
InChIKeyNYLZTNUWWVSSNX-UHFFFAOYSA-N
XLogP-0.07
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(methylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one 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 5-(methylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one?
The IUPAC name of 5-(methylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one (CID 116555705) is 5-(methylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one.
What is the SMILES notation for 5-(methylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one?
The canonical SMILES for 5-(methylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one is CNCCCC(=O)Cc1ncnn1C.
What is the InChIKey of 5-(methylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one?
The InChIKey is NYLZTNUWWVSSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-10-5-3-4-8(14)6-9-11-7-12-13(9)2/h7,10H,3-6H2,1-2H3.
What are the key properties of 5-(methylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one?
5-(methylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one has a molecular weight of 196.25 g/mol, XLogP of -0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one is sourced from PubChem (CID 116555705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).