7-methyl-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]chromen-2-one

C17H13N5O2 — CID 167878271

IUPAC7-methyl-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]chromen-2-one
SMILESCc1ccc2c(Cn3nnnc3-c3ccccn3)cc(=O)oc2c1
InChIInChI=1S/C17H13N5O2/c1-11-5-6-13-12(9-16(23)24-15(13)8-11)10-22-17(19-20-21-22)14-4-2-3-7-18-14/h2-9H,10H2,1H3
InChIKeyFFPWAAUZODEDGQ-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.20
Rot. Bonds3

About 7-methyl-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]chromen-2-one

7-methyl-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]chromen-2-one (PubChem CID 167878271) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 7-methyl-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]chromen-2-one.

Molecular Properties

Compound Name7-methyl-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]chromen-2-one
PubChem CID167878271
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name7-methyl-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]chromen-2-one
SMILESCc1ccc2c(Cn3nnnc3-c3ccccn3)cc(=O)oc2c1
InChIInChI=1S/C17H13N5O2/c1-11-5-6-13-12(9-16(23)24-15(13)8-11)10-22-17(19-20-21-22)14-4-2-3-7-18-14/h2-9H,10H2,1H3
InChIKeyFFPWAAUZODEDGQ-UHFFFAOYSA-N
XLogP2.20
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]chromen-2-one?
The IUPAC name of 7-methyl-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]chromen-2-one (CID 167878271) is 7-methyl-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]chromen-2-one.
What is the SMILES notation for 7-methyl-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]chromen-2-one?
The canonical SMILES for 7-methyl-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]chromen-2-one is Cc1ccc2c(Cn3nnnc3-c3ccccn3)cc(=O)oc2c1.
What is the InChIKey of 7-methyl-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]chromen-2-one?
The InChIKey is FFPWAAUZODEDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-11-5-6-13-12(9-16(23)24-15(13)8-11)10-22-17(19-20-21-22)14-4-2-3-7-18-14/h2-9H,10H2,1H3.
What are the key properties of 7-methyl-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]chromen-2-one?
7-methyl-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]chromen-2-one has a molecular weight of 319.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]chromen-2-one is sourced from PubChem (CID 167878271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).