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

C16H20N4O — CID 145383703

IUPAC7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol;methane
SMILESC.Cc1c(O)c(C2=CC=CC(C)C=C2)n2nnnc2c1C
InChIInChI=1S/C15H16N4O.CH4/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;1H4
InChIKeyGZJKINAAXYTIST-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.23
Rot. Bonds1

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

7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol;methane (PubChem CID 145383703) has the molecular formula C16H20N4O and a molecular weight of 284.36 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;methane.

Molecular Properties

Compound Name7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol;methane
PubChem CID145383703
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol;methane
SMILESC.Cc1c(O)c(C2=CC=CC(C)C=C2)n2nnnc2c1C
InChIInChI=1S/C15H16N4O.CH4/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;1H4
InChIKeyGZJKINAAXYTIST-UHFFFAOYSA-N
XLogP3.23
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Cyclopropyl-5-[4-(hydroxymethyl)hepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 90743453
7,8-Dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol
CID 145383704

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;methane?
The IUPAC name of 7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol;methane (CID 145383703) is 7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol;methane.
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;methane?
The canonical SMILES for 7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol;methane is C.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;methane?
The InChIKey is GZJKINAAXYTIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O.CH4/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;1H4.
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;methane?
7,8-dimethyl-5-(5-methylcyclohepta-1,3,6-trien-1-yl)tetrazolo[1,5-a]pyridin-6-ol;methane has a molecular weight of 284.36 g/mol, XLogP of 3.23, 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;methane is sourced from PubChem (CID 145383703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).