2-(7-aminoimidazo[1,5-b][1,2,4]triazol-3-yl)oxyethanol

C6H9N5O2 — CID 69255488

IUPAC2-(7-aminoimidazo[1,5-b][1,2,4]triazol-3-yl)oxyethanol
SMILESNc1ncn2c1ncn2OCCO
InChIInChI=1S/C6H9N5O2/c7-5-6-9-4-11(13-2-1-12)10(6)3-8-5/h3-4,12H,1-2,7H2
InChIKeySEGSHKIZMDGKOM-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.47
Rot. Bonds3

About 2-(7-aminoimidazo[1,5-b][1,2,4]triazol-3-yl)oxyethanol

2-(7-aminoimidazo[1,5-b][1,2,4]triazol-3-yl)oxyethanol (PubChem CID 69255488) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(7-aminoimidazo[1,5-b][1,2,4]triazol-3-yl)oxyethanol.

Molecular Properties

Compound Name2-(7-aminoimidazo[1,5-b][1,2,4]triazol-3-yl)oxyethanol
PubChem CID69255488
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Name2-(7-aminoimidazo[1,5-b][1,2,4]triazol-3-yl)oxyethanol
SMILESNc1ncn2c1ncn2OCCO
InChIInChI=1S/C6H9N5O2/c7-5-6-9-4-11(13-2-1-12)10(6)3-8-5/h3-4,12H,1-2,7H2
InChIKeySEGSHKIZMDGKOM-UHFFFAOYSA-N
XLogP-1.47
TPSA90.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-aminoimidazo[1,2-c]triazol-4-yl)oxyethanol
CID 69459922
3-ethoxyimidazo[1,5-b][1,2,4]triazole-5,7-diamine
CID 69255677
2-[2-(3-amino-1,2,4-triazol-1-yl)ethoxy]ethanol
CID 61070904
2-(2,6-diaminoimidazo[1,2-b][1,2,4]triazol-1-yl)oxyethanol
CID 69253981
2-[2-(2,6-diaminopurin-9-yl)ethoxy]ethanol
CID 143078293
2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 114072620
(5-amino-3-methylimidazol-4-yl)methanol
CID 130118795
2-imidazo[1,2-a]imidazol-7-yloxyethanol
CID 69460013
5-amino-4-(2-hydroxyethoxy)thieno[3,2-b]pyrrol-2-ol
CID 69340976
2-[(6-amino-2-methylsulfanylpurin-9-yl)methoxy]ethanol
CID 14035870
2-[(3-amino-5-chloro-4-pyridinyl)oxy]ethanol
CID 130520470
3-(6-amino-9-benzylpurin-2-yl)oxypropan-1-ol
CID 18332714

Frequently Asked Questions

What is the IUPAC name of 2-(7-aminoimidazo[1,5-b][1,2,4]triazol-3-yl)oxyethanol?
The IUPAC name of 2-(7-aminoimidazo[1,5-b][1,2,4]triazol-3-yl)oxyethanol (CID 69255488) is 2-(7-aminoimidazo[1,5-b][1,2,4]triazol-3-yl)oxyethanol.
What is the SMILES notation for 2-(7-aminoimidazo[1,5-b][1,2,4]triazol-3-yl)oxyethanol?
The canonical SMILES for 2-(7-aminoimidazo[1,5-b][1,2,4]triazol-3-yl)oxyethanol is Nc1ncn2c1ncn2OCCO.
What is the InChIKey of 2-(7-aminoimidazo[1,5-b][1,2,4]triazol-3-yl)oxyethanol?
The InChIKey is SEGSHKIZMDGKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c7-5-6-9-4-11(13-2-1-12)10(6)3-8-5/h3-4,12H,1-2,7H2.
What are the key properties of 2-(7-aminoimidazo[1,5-b][1,2,4]triazol-3-yl)oxyethanol?
2-(7-aminoimidazo[1,5-b][1,2,4]triazol-3-yl)oxyethanol has a molecular weight of 183.17 g/mol, XLogP of -1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-aminoimidazo[1,5-b][1,2,4]triazol-3-yl)oxyethanol is sourced from PubChem (CID 69255488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).