8-(diethylamino)-6,6-dimethyl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol

C15H22N4O2 — CID 67586910

IUPAC8-(diethylamino)-6,6-dimethyl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol
SMILESCCN(CC)C1c2cc3n[nH]nc3cc2OC(C)(C)C1O
InChIInChI=1S/C15H22N4O2/c1-5-19(6-2)13-9-7-10-11(17-18-16-10)8-12(9)21-15(3,4)14(13)20/h7-8,13-14,20H,5-6H2,1-4H3,(H,16,17,18)
InChIKeyMOYLJTJHAZRIPZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.87
Rot. Bonds3

About 8-(diethylamino)-6,6-dimethyl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol

8-(diethylamino)-6,6-dimethyl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol (PubChem CID 67586910) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 8-(diethylamino)-6,6-dimethyl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol.

Molecular Properties

Compound Name8-(diethylamino)-6,6-dimethyl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol
PubChem CID67586910
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name8-(diethylamino)-6,6-dimethyl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol
SMILESCCN(CC)C1c2cc3n[nH]nc3cc2OC(C)(C)C1O
InChIInChI=1S/C15H22N4O2/c1-5-19(6-2)13-9-7-10-11(17-18-16-10)8-12(9)21-15(3,4)14(13)20/h7-8,13-14,20H,5-6H2,1-4H3,(H,16,17,18)
InChIKeyMOYLJTJHAZRIPZ-UHFFFAOYSA-N
XLogP1.87
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(diethylamino)-6,6-dimethyl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol?
The IUPAC name of 8-(diethylamino)-6,6-dimethyl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol (CID 67586910) is 8-(diethylamino)-6,6-dimethyl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol.
What is the SMILES notation for 8-(diethylamino)-6,6-dimethyl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol?
The canonical SMILES for 8-(diethylamino)-6,6-dimethyl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol is CCN(CC)C1c2cc3n[nH]nc3cc2OC(C)(C)C1O.
What is the InChIKey of 8-(diethylamino)-6,6-dimethyl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol?
The InChIKey is MOYLJTJHAZRIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-5-19(6-2)13-9-7-10-11(17-18-16-10)8-12(9)21-15(3,4)14(13)20/h7-8,13-14,20H,5-6H2,1-4H3,(H,16,17,18).
What are the key properties of 8-(diethylamino)-6,6-dimethyl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol?
8-(diethylamino)-6,6-dimethyl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol has a molecular weight of 290.37 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(diethylamino)-6,6-dimethyl-7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-7-ol is sourced from PubChem (CID 67586910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).