4-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

C16H12N4O2 — CID 10469561

IUPAC4-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESO=c1[nH]nc2c(CO)cc3ccc(-c4ccncc4)cc3n12
InChIInChI=1S/C16H12N4O2/c21-9-13-7-12-2-1-11(10-3-5-17-6-4-10)8-14(12)20-15(13)18-19-16(20)22/h1-8,21H,9H2,(H,19,22)
InChIKeySCCNZHHORBDCTA-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.73
Rot. Bonds2

About 4-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

4-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 10469561) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID10469561
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name4-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESO=c1[nH]nc2c(CO)cc3ccc(-c4ccncc4)cc3n12
InChIInChI=1S/C16H12N4O2/c21-9-13-7-12-2-1-11(10-3-5-17-6-4-10)8-14(12)20-15(13)18-19-16(20)22/h1-8,21H,9H2,(H,19,22)
InChIKeySCCNZHHORBDCTA-UHFFFAOYSA-N
XLogP1.73
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 4-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 10469561) is 4-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 4-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 4-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is O=c1[nH]nc2c(CO)cc3ccc(-c4ccncc4)cc3n12.
What is the InChIKey of 4-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is SCCNZHHORBDCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c21-9-13-7-12-2-1-11(10-3-5-17-6-4-10)8-14(12)20-15(13)18-19-16(20)22/h1-8,21H,9H2,(H,19,22).
What are the key properties of 4-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
4-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 292.30 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 10469561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).