[4-(6,7-dihydro-5H-pyrano[2,3-c]pyridazin-3-yl)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanol

C14H14N4O4 — CID 173132013

IUPAC[4-(6,7-dihydro-5H-pyrano[2,3-c]pyridazin-3-yl)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanol
SMILESOCC1COc2c(-c3cc4c(nn3)OCCC4)cnnc2O1
InChIInChI=1S/C14H14N4O4/c19-6-9-7-21-12-10(5-15-17-14(12)22-9)11-4-8-2-1-3-20-13(8)18-16-11/h4-5,9,19H,1-3,6-7H2
InChIKeyQWEQIQZYBLKHJS-UHFFFAOYSA-N
MW302.29 g/mol
LogP0.39
Rot. Bonds2

About [4-(6,7-dihydro-5H-pyrano[2,3-c]pyridazin-3-yl)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanol

[4-(6,7-dihydro-5H-pyrano[2,3-c]pyridazin-3-yl)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanol (PubChem CID 173132013) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is [4-(6,7-dihydro-5H-pyrano[2,3-c]pyridazin-3-yl)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanol.

Molecular Properties

Compound Name[4-(6,7-dihydro-5H-pyrano[2,3-c]pyridazin-3-yl)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanol
PubChem CID173132013
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name[4-(6,7-dihydro-5H-pyrano[2,3-c]pyridazin-3-yl)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanol
SMILESOCC1COc2c(-c3cc4c(nn3)OCCC4)cnnc2O1
InChIInChI=1S/C14H14N4O4/c19-6-9-7-21-12-10(5-15-17-14(12)22-9)11-4-8-2-1-3-20-13(8)18-16-11/h4-5,9,19H,1-3,6-7H2
InChIKeyQWEQIQZYBLKHJS-UHFFFAOYSA-N
XLogP0.39
TPSA99.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dihydro-5H-pyrano[2,3-c]pyridazin-3-yl)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanol?
The IUPAC name of [4-(6,7-dihydro-5H-pyrano[2,3-c]pyridazin-3-yl)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanol (CID 173132013) is [4-(6,7-dihydro-5H-pyrano[2,3-c]pyridazin-3-yl)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanol.
What is the SMILES notation for [4-(6,7-dihydro-5H-pyrano[2,3-c]pyridazin-3-yl)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanol?
The canonical SMILES for [4-(6,7-dihydro-5H-pyrano[2,3-c]pyridazin-3-yl)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanol is OCC1COc2c(-c3cc4c(nn3)OCCC4)cnnc2O1.
What is the InChIKey of [4-(6,7-dihydro-5H-pyrano[2,3-c]pyridazin-3-yl)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanol?
The InChIKey is QWEQIQZYBLKHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c19-6-9-7-21-12-10(5-15-17-14(12)22-9)11-4-8-2-1-3-20-13(8)18-16-11/h4-5,9,19H,1-3,6-7H2.
What are the key properties of [4-(6,7-dihydro-5H-pyrano[2,3-c]pyridazin-3-yl)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanol?
[4-(6,7-dihydro-5H-pyrano[2,3-c]pyridazin-3-yl)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanol has a molecular weight of 302.29 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dihydro-5H-pyrano[2,3-c]pyridazin-3-yl)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanol is sourced from PubChem (CID 173132013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).