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

C6H8N4O — CID 69459345

IUPAC1-methoxypyrrolo[1,2-b][1,2,4]triazol-7-amine
SMILESCOn1cnn2ccc(N)c12
InChIInChI=1S/C6H8N4O/c1-11-10-4-8-9-3-2-5(7)6(9)10/h2-4H,7H2,1H3
InChIKeyQBIYNUVQHPMMOO-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.22
Rot. Bonds1

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

1-methoxypyrrolo[1,2-b][1,2,4]triazol-7-amine (PubChem CID 69459345) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 1-methoxypyrrolo[1,2-b][1,2,4]triazol-7-amine.

Molecular Properties

Compound Name1-methoxypyrrolo[1,2-b][1,2,4]triazol-7-amine
PubChem CID69459345
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name1-methoxypyrrolo[1,2-b][1,2,4]triazol-7-amine
SMILESCOn1cnn2ccc(N)c12
InChIInChI=1S/C6H8N4O/c1-11-10-4-8-9-3-2-5(7)6(9)10/h2-4H,7H2,1H3
InChIKeyQBIYNUVQHPMMOO-UHFFFAOYSA-N
XLogP-0.22
TPSA57.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypyrrolo[1,2-b][1,2,4]triazol-7-amine?
The IUPAC name of 1-methoxypyrrolo[1,2-b][1,2,4]triazol-7-amine (CID 69459345) is 1-methoxypyrrolo[1,2-b][1,2,4]triazol-7-amine.
What is the SMILES notation for 1-methoxypyrrolo[1,2-b][1,2,4]triazol-7-amine?
The canonical SMILES for 1-methoxypyrrolo[1,2-b][1,2,4]triazol-7-amine is COn1cnn2ccc(N)c12.
What is the InChIKey of 1-methoxypyrrolo[1,2-b][1,2,4]triazol-7-amine?
The InChIKey is QBIYNUVQHPMMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-11-10-4-8-9-3-2-5(7)6(9)10/h2-4H,7H2,1H3.
What are the key properties of 1-methoxypyrrolo[1,2-b][1,2,4]triazol-7-amine?
1-methoxypyrrolo[1,2-b][1,2,4]triazol-7-amine has a molecular weight of 152.16 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypyrrolo[1,2-b][1,2,4]triazol-7-amine is sourced from PubChem (CID 69459345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).