2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol

C11H17N5O — CID 84797438

IUPAC2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol
SMILESCc1nc2nc(C(O)C(C)N)nn2c(C)c1C
InChIInChI=1S/C11H17N5O/c1-5-7(3)13-11-14-10(9(17)6(2)12)15-16(11)8(5)4/h6,9,17H,12H2,1-4H3
InChIKeyKJKZJAGMUDXAAB-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.43
Rot. Bonds2

About 2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol

2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol (PubChem CID 84797438) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol
PubChem CID84797438
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol
SMILESCc1nc2nc(C(O)C(C)N)nn2c(C)c1C
InChIInChI=1S/C11H17N5O/c1-5-7(3)13-11-14-10(9(17)6(2)12)15-16(11)8(5)4/h6,9,17H,12H2,1-4H3
InChIKeyKJKZJAGMUDXAAB-UHFFFAOYSA-N
XLogP0.43
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-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 2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol?
The IUPAC name of 2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol (CID 84797438) is 2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol?
The canonical SMILES for 2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol is Cc1nc2nc(C(O)C(C)N)nn2c(C)c1C.
What is the InChIKey of 2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol?
The InChIKey is KJKZJAGMUDXAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-5-7(3)13-11-14-10(9(17)6(2)12)15-16(11)8(5)4/h6,9,17H,12H2,1-4H3.
What are the key properties of 2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol?
2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol has a molecular weight of 235.29 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol is sourced from PubChem (CID 84797438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).