2,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-one

C5H6N4O — CID 154051967

IUPAC2,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-one
SMILESO=C1NCCc2n[nH]nc21
InChIInChI=1S/C5H6N4O/c10-5-4-3(1-2-6-5)7-9-8-4/h1-2H2,(H,6,10)(H,7,8,9)
InChIKeyFPLHRYTYFDEWPB-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.91
Rot. Bonds

About 2,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-one

2,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-one (PubChem CID 154051967) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is 2,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name2,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-one
PubChem CID154051967
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC Name2,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-one
SMILESO=C1NCCc2n[nH]nc21
InChIInChI=1S/C5H6N4O/c10-5-4-3(1-2-6-5)7-9-8-4/h1-2H2,(H,6,10)(H,7,8,9)
InChIKeyFPLHRYTYFDEWPB-UHFFFAOYSA-N
XLogP-0.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-one?
The IUPAC name of 2,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-one (CID 154051967) is 2,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 2,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 2,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-one is O=C1NCCc2n[nH]nc21.
What is the InChIKey of 2,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-one?
The InChIKey is FPLHRYTYFDEWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O/c10-5-4-3(1-2-6-5)7-9-8-4/h1-2H2,(H,6,10)(H,7,8,9).
What are the key properties of 2,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-one?
2,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-one has a molecular weight of 138.13 g/mol, XLogP of -0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 154051967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).