3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol

C11H20N4O — CID 104919087

IUPAC3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol
SMILESCc1nnc(NC(CCO)C(C)C)nc1C
InChIInChI=1S/C11H20N4O/c1-7(2)10(5-6-16)13-11-12-8(3)9(4)14-15-11/h7,10,16H,5-6H2,1-4H3,(H,12,13,15)
InChIKeyUCENQBLKJJZETG-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.31
Rot. Bonds5

About 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol

3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol (PubChem CID 104919087) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol
PubChem CID104919087
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol
SMILESCc1nnc(NC(CCO)C(C)C)nc1C
InChIInChI=1S/C11H20N4O/c1-7(2)10(5-6-16)13-11-12-8(3)9(4)14-15-11/h7,10,16H,5-6H2,1-4H3,(H,12,13,15)
InChIKeyUCENQBLKJJZETG-UHFFFAOYSA-N
XLogP1.31
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-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 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol (CID 104919087) is 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol is Cc1nnc(NC(CCO)C(C)C)nc1C.
What is the InChIKey of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol?
The InChIKey is UCENQBLKJJZETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(2)10(5-6-16)13-11-12-8(3)9(4)14-15-11/h7,10,16H,5-6H2,1-4H3,(H,12,13,15).
What are the key properties of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol?
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 104919087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).