3-[5-(2-ethyltriazol-4-yl)-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyrazin-2-amine

C14H13N9O — CID 174283401

IUPAC3-[5-(2-ethyltriazol-4-yl)-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyrazin-2-amine
SMILESCCn1ncc(-c2ccc3nc(-c4nccnc4N)n(O)c3n2)n1
InChIInChI=1S/C14H13N9O/c1-2-22-18-7-10(21-22)8-3-4-9-13(19-8)23(24)14(20-9)11-12(15)17-6-5-16-11/h3-7,24H,2H2,1H3,(H2,15,17)
InChIKeyIJDFVXCFCHMOHN-UHFFFAOYSA-N
MW323.32 g/mol
LogP0.99
Rot. Bonds3

About 3-[5-(2-ethyltriazol-4-yl)-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyrazin-2-amine

3-[5-(2-ethyltriazol-4-yl)-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyrazin-2-amine (PubChem CID 174283401) has the molecular formula C14H13N9O and a molecular weight of 323.32 g/mol. Its IUPAC name is 3-[5-(2-ethyltriazol-4-yl)-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[5-(2-ethyltriazol-4-yl)-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyrazin-2-amine
PubChem CID174283401
Molecular FormulaC14H13N9O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name3-[5-(2-ethyltriazol-4-yl)-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyrazin-2-amine
SMILESCCn1ncc(-c2ccc3nc(-c4nccnc4N)n(O)c3n2)n1
InChIInChI=1S/C14H13N9O/c1-2-22-18-7-10(21-22)8-3-4-9-13(19-8)23(24)14(20-9)11-12(15)17-6-5-16-11/h3-7,24H,2H2,1H3,(H2,15,17)
InChIKeyIJDFVXCFCHMOHN-UHFFFAOYSA-N
XLogP0.99
TPSA133.45 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

Glu-P 2
CID 49970
4-(1-methyl-1H-imidazo(4,5-c)pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 11680113
4-(1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 23646578
3-(4-Amino-6-Methyl-1,3,5-Triazin-2-Yl)-N-(1h-Pyrazol-5-Yl)imidazo[1,2-A]pyridin-2-Amine
CID 49835055
2-(1h-Pyrazol-4-Yl)-7-(Pyridin-3-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90104994
7-(1-Propyl-1h-Pyrazol-4-Yl)-2-(Pyridin-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90106032
US10336761, Example 57
CID 135262410
5-Methyl-6-[[3-[6-(trifluoromethyl)pyridin-2-yl]pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
CID 139382201
HOAt
CID 181649
3-(Benzotriazol-1-Yl)-5-[1-Methyl-5-[(1~{s})-1-Morpholin-4-Ylethyl]-1,2,4-Triazol-3-Yl]pyrazin-2-Amine
CID 126480568
Imidazo[1,2-b]pyridazine deriv. 3
CID 6539042
US10399985, Example 25
CID 118278077

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-ethyltriazol-4-yl)-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyrazin-2-amine?
The IUPAC name of 3-[5-(2-ethyltriazol-4-yl)-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyrazin-2-amine (CID 174283401) is 3-[5-(2-ethyltriazol-4-yl)-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyrazin-2-amine.
What is the SMILES notation for 3-[5-(2-ethyltriazol-4-yl)-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyrazin-2-amine?
The canonical SMILES for 3-[5-(2-ethyltriazol-4-yl)-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyrazin-2-amine is CCn1ncc(-c2ccc3nc(-c4nccnc4N)n(O)c3n2)n1.
What is the InChIKey of 3-[5-(2-ethyltriazol-4-yl)-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyrazin-2-amine?
The InChIKey is IJDFVXCFCHMOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N9O/c1-2-22-18-7-10(21-22)8-3-4-9-13(19-8)23(24)14(20-9)11-12(15)17-6-5-16-11/h3-7,24H,2H2,1H3,(H2,15,17).
What are the key properties of 3-[5-(2-ethyltriazol-4-yl)-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyrazin-2-amine?
3-[5-(2-ethyltriazol-4-yl)-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyrazin-2-amine has a molecular weight of 323.32 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-ethyltriazol-4-yl)-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyrazin-2-amine is sourced from PubChem (CID 174283401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).