2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butan-2-ol

C10H20N4O — CID 79355147

IUPAC2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butan-2-ol
SMILESCn1cnnc1CCNCCC(C)(C)O
InChIInChI=1S/C10H20N4O/c1-10(2,15)5-7-11-6-4-9-13-12-8-14(9)3/h8,11,15H,4-7H2,1-3H3
InChIKeyDBJQNANCUJCYEJ-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.11
Rot. Bonds6

About 2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butan-2-ol

2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butan-2-ol (PubChem CID 79355147) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butan-2-ol
PubChem CID79355147
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butan-2-ol
SMILESCn1cnnc1CCNCCC(C)(C)O
InChIInChI=1S/C10H20N4O/c1-10(2,15)5-7-11-6-4-9-13-12-8-14(9)3/h8,11,15H,4-7H2,1-3H3
InChIKeyDBJQNANCUJCYEJ-UHFFFAOYSA-N
XLogP0.11
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butan-2-ol 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 2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butan-2-ol?
The IUPAC name of 2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butan-2-ol (CID 79355147) is 2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butan-2-ol?
The canonical SMILES for 2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butan-2-ol is Cn1cnnc1CCNCCC(C)(C)O.
What is the InChIKey of 2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butan-2-ol?
The InChIKey is DBJQNANCUJCYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-10(2,15)5-7-11-6-4-9-13-12-8-14(9)3/h8,11,15H,4-7H2,1-3H3.
What are the key properties of 2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butan-2-ol?
2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butan-2-ol has a molecular weight of 212.30 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 79355147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).