3-tert-butylimidazo[1,2-b][1,2,4]triazine;hydrate;hydrochloride

C9H15ClN4O — CID 67093477

IUPAC3-tert-butylimidazo[1,2-b][1,2,4]triazine;hydrate;hydrochloride
SMILESCC(C)(C)c1cnn2ccnc2n1.Cl.O
InChIInChI=1S/C9H12N4.ClH.H2O/c1-9(2,3)7-6-11-13-5-4-10-8(13)12-7;;/h4-6H,1-3H3;1H;1H2
InChIKeyWNUOCAAUEUIRBA-UHFFFAOYSA-N
MW230.70 g/mol
LogP1.02
Rot. Bonds

About 3-tert-butylimidazo[1,2-b][1,2,4]triazine;hydrate;hydrochloride

3-tert-butylimidazo[1,2-b][1,2,4]triazine;hydrate;hydrochloride (PubChem CID 67093477) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 3-tert-butylimidazo[1,2-b][1,2,4]triazine;hydrate;hydrochloride.

Molecular Properties

Compound Name3-tert-butylimidazo[1,2-b][1,2,4]triazine;hydrate;hydrochloride
PubChem CID67093477
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name3-tert-butylimidazo[1,2-b][1,2,4]triazine;hydrate;hydrochloride
SMILESCC(C)(C)c1cnn2ccnc2n1.Cl.O
InChIInChI=1S/C9H12N4.ClH.H2O/c1-9(2,3)7-6-11-13-5-4-10-8(13)12-7;;/h4-6H,1-3H3;1H;1H2
InChIKeyWNUOCAAUEUIRBA-UHFFFAOYSA-N
XLogP1.02
TPSA74.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-tert-butylimidazo[1,2-b][1,2,4]triazine;hydrate;hydrochloride 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-tert-butylimidazo[1,2-b][1,2,4]triazine;hydrate;hydrochloride?
The IUPAC name of 3-tert-butylimidazo[1,2-b][1,2,4]triazine;hydrate;hydrochloride (CID 67093477) is 3-tert-butylimidazo[1,2-b][1,2,4]triazine;hydrate;hydrochloride.
What is the SMILES notation for 3-tert-butylimidazo[1,2-b][1,2,4]triazine;hydrate;hydrochloride?
The canonical SMILES for 3-tert-butylimidazo[1,2-b][1,2,4]triazine;hydrate;hydrochloride is CC(C)(C)c1cnn2ccnc2n1.Cl.O.
What is the InChIKey of 3-tert-butylimidazo[1,2-b][1,2,4]triazine;hydrate;hydrochloride?
The InChIKey is WNUOCAAUEUIRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4.ClH.H2O/c1-9(2,3)7-6-11-13-5-4-10-8(13)12-7;;/h4-6H,1-3H3;1H;1H2.
What are the key properties of 3-tert-butylimidazo[1,2-b][1,2,4]triazine;hydrate;hydrochloride?
3-tert-butylimidazo[1,2-b][1,2,4]triazine;hydrate;hydrochloride has a molecular weight of 230.70 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylimidazo[1,2-b][1,2,4]triazine;hydrate;hydrochloride is sourced from PubChem (CID 67093477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).