1-hydroxypyrrolo[1,2-b][1,2,4]triazol-7-amine

C5H6N4O — CID 55285783

IUPAC1-hydroxypyrrolo[1,2-b][1,2,4]triazol-7-amine
SMILESNc1ccn2ncn(O)c12
InChIInChI=1S/C5H6N4O/c6-4-1-2-8-5(4)9(10)3-7-8/h1-3,10H,6H2
InChIKeyKLZKPAJOXWAPJU-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.04
Rot. Bonds

About 1-hydroxypyrrolo[1,2-b][1,2,4]triazol-7-amine

1-hydroxypyrrolo[1,2-b][1,2,4]triazol-7-amine (PubChem CID 55285783) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is 1-hydroxypyrrolo[1,2-b][1,2,4]triazol-7-amine.

Molecular Properties

Compound Name1-hydroxypyrrolo[1,2-b][1,2,4]triazol-7-amine
PubChem CID55285783
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC Name1-hydroxypyrrolo[1,2-b][1,2,4]triazol-7-amine
SMILESNc1ccn2ncn(O)c12
InChIInChI=1S/C5H6N4O/c6-4-1-2-8-5(4)9(10)3-7-8/h1-3,10H,6H2
InChIKeyKLZKPAJOXWAPJU-UHFFFAOYSA-N
XLogP-0.04
TPSA68.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrrolo[1,2-b][1,2,4]triazol-7-amine?
The IUPAC name of 1-hydroxypyrrolo[1,2-b][1,2,4]triazol-7-amine (CID 55285783) is 1-hydroxypyrrolo[1,2-b][1,2,4]triazol-7-amine.
What is the SMILES notation for 1-hydroxypyrrolo[1,2-b][1,2,4]triazol-7-amine?
The canonical SMILES for 1-hydroxypyrrolo[1,2-b][1,2,4]triazol-7-amine is Nc1ccn2ncn(O)c12.
What is the InChIKey of 1-hydroxypyrrolo[1,2-b][1,2,4]triazol-7-amine?
The InChIKey is KLZKPAJOXWAPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O/c6-4-1-2-8-5(4)9(10)3-7-8/h1-3,10H,6H2.
What are the key properties of 1-hydroxypyrrolo[1,2-b][1,2,4]triazol-7-amine?
1-hydroxypyrrolo[1,2-b][1,2,4]triazol-7-amine has a molecular weight of 138.13 g/mol, XLogP of -0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrrolo[1,2-b][1,2,4]triazol-7-amine is sourced from PubChem (CID 55285783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).