3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropan-1-ol

C9H15ClN4O — CID 171763548

IUPAC3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCc1nc(NCC(C)(C)CO)nnc1Cl
InChIInChI=1S/C9H15ClN4O/c1-6-7(10)13-14-8(12-6)11-4-9(2,3)5-15/h15H,4-5H2,1-3H3,(H,11,12,14)
InChIKeyZKKOZQZYDYYHRB-UHFFFAOYSA-N
MW230.70 g/mol
LogP1.26
Rot. Bonds4

About 3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropan-1-ol

3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 171763548) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropan-1-ol
PubChem CID171763548
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCc1nc(NCC(C)(C)CO)nnc1Cl
InChIInChI=1S/C9H15ClN4O/c1-6-7(10)13-14-8(12-6)11-4-9(2,3)5-15/h15H,4-5H2,1-3H3,(H,11,12,14)
InChIKeyZKKOZQZYDYYHRB-UHFFFAOYSA-N
XLogP1.26
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropan-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-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropan-1-ol (CID 171763548) is 3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropan-1-ol is Cc1nc(NCC(C)(C)CO)nnc1Cl.
What is the InChIKey of 3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is ZKKOZQZYDYYHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-6-7(10)13-14-8(12-6)11-4-9(2,3)5-15/h15H,4-5H2,1-3H3,(H,11,12,14).
What are the key properties of 3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropan-1-ol?
3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 230.70 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 171763548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).