7-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

C6H6N4O — CID 130120575

IUPAC7-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNc1ccn2c(=O)[nH]nc2c1
InChIInChI=1S/C6H6N4O/c7-4-1-2-10-5(3-4)8-9-6(10)11/h1-3H,7H2,(H,9,11)
InChIKeyXNHMMKQABPHGCR-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.40
Rot. Bonds

About 7-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

7-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 130120575) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 7-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name7-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID130120575
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name7-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNc1ccn2c(=O)[nH]nc2c1
InChIInChI=1S/C6H6N4O/c7-4-1-2-10-5(3-4)8-9-6(10)11/h1-3H,7H2,(H,9,11)
InChIKeyXNHMMKQABPHGCR-UHFFFAOYSA-N
XLogP-0.40
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 7-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 130120575) is 7-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 7-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 7-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is Nc1ccn2c(=O)[nH]nc2c1.
What is the InChIKey of 7-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is XNHMMKQABPHGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c7-4-1-2-10-5(3-4)8-9-6(10)11/h1-3H,7H2,(H,9,11).
What are the key properties of 7-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
7-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 150.14 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 130120575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).