7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol

C15H16N4O — CID 145383704

IUPAC7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol
SMILESCc1c(O)c(C2=CC=CC(C)C=C2)n2nnnc2c1C
InChIInChI=1S/C15H16N4O/c1-9-5-4-6-12(8-7-9)13-14(20)10(2)11(3)15-16-17-18-19(13)15/h4-9,20H,1-3H3
InChIKeySSUAFNURNJMUPZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.59
Rot. Bonds1

About 7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol

7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol (PubChem CID 145383704) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol.

Molecular Properties

Compound Name7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol
PubChem CID145383704
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol
SMILESCc1c(O)c(C2=CC=CC(C)C=C2)n2nnnc2c1C
InChIInChI=1S/C15H16N4O/c1-9-5-4-6-12(8-7-9)13-14(20)10(2)11(3)15-16-17-18-19(13)15/h4-9,20H,1-3H3
InChIKeySSUAFNURNJMUPZ-UHFFFAOYSA-N
XLogP2.59
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol?
The IUPAC name of 7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol (CID 145383704) is 7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol.
What is the SMILES notation for 7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol?
The canonical SMILES for 7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol is Cc1c(O)c(C2=CC=CC(C)C=C2)n2nnnc2c1C.
What is the InChIKey of 7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol?
The InChIKey is SSUAFNURNJMUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-5-4-6-12(8-7-9)13-14(20)10(2)11(3)15-16-17-18-19(13)15/h4-9,20H,1-3H3.
What are the key properties of 7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol?
7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol has a molecular weight of 268.32 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol is sourced from PubChem (CID 145383704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).