3-imino-2-(2-methoxy-6-methylphenyl)-6,8-dihydro-5H-pyrano[3,4-c]pyridazine-4-carbonitrile

C16H16N4O2 — CID 91228874

IUPAC3-imino-2-(2-methoxy-6-methylphenyl)-6,8-dihydro-5H-pyrano[3,4-c]pyridazine-4-carbonitrile
SMILES[H]/N=c1\c(C#N)c2c(nn1-c1c(C)cccc1OC)COCC2
InChIInChI=1S/C16H16N4O2/c1-10-4-3-5-14(21-2)15(10)20-16(18)12(8-17)11-6-7-22-9-13(11)19-20/h3-5,18H,6-7,9H2,1-2H3/b18-16+
InChIKeyNTTYUAQRXWNEKV-FBMGVBCBSA-N
MW296.33 g/mol
LogP1.61
Rot. Bonds2

About 3-imino-2-(2-methoxy-6-methylphenyl)-6,8-dihydro-5H-pyrano[3,4-c]pyridazine-4-carbonitrile

3-imino-2-(2-methoxy-6-methylphenyl)-6,8-dihydro-5H-pyrano[3,4-c]pyridazine-4-carbonitrile (PubChem CID 91228874) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-imino-2-(2-methoxy-6-methylphenyl)-6,8-dihydro-5H-pyrano[3,4-c]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-imino-2-(2-methoxy-6-methylphenyl)-6,8-dihydro-5H-pyrano[3,4-c]pyridazine-4-carbonitrile
PubChem CID91228874
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name3-imino-2-(2-methoxy-6-methylphenyl)-6,8-dihydro-5H-pyrano[3,4-c]pyridazine-4-carbonitrile
SMILES[H]/N=c1\c(C#N)c2c(nn1-c1c(C)cccc1OC)COCC2
InChIInChI=1S/C16H16N4O2/c1-10-4-3-5-14(21-2)15(10)20-16(18)12(8-17)11-6-7-22-9-13(11)19-20/h3-5,18H,6-7,9H2,1-2H3/b18-16+
InChIKeyNTTYUAQRXWNEKV-FBMGVBCBSA-N
XLogP1.61
TPSA83.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-imino-2-(2-methoxy-6-methylphenyl)-6,8-dihydro-5H-pyrano[3,4-c]pyridazine-4-carbonitrile?
The IUPAC name of 3-imino-2-(2-methoxy-6-methylphenyl)-6,8-dihydro-5H-pyrano[3,4-c]pyridazine-4-carbonitrile (CID 91228874) is 3-imino-2-(2-methoxy-6-methylphenyl)-6,8-dihydro-5H-pyrano[3,4-c]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-imino-2-(2-methoxy-6-methylphenyl)-6,8-dihydro-5H-pyrano[3,4-c]pyridazine-4-carbonitrile?
The canonical SMILES for 3-imino-2-(2-methoxy-6-methylphenyl)-6,8-dihydro-5H-pyrano[3,4-c]pyridazine-4-carbonitrile is [H]/N=c1\c(C#N)c2c(nn1-c1c(C)cccc1OC)COCC2.
What is the InChIKey of 3-imino-2-(2-methoxy-6-methylphenyl)-6,8-dihydro-5H-pyrano[3,4-c]pyridazine-4-carbonitrile?
The InChIKey is NTTYUAQRXWNEKV-FBMGVBCBSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-4-3-5-14(21-2)15(10)20-16(18)12(8-17)11-6-7-22-9-13(11)19-20/h3-5,18H,6-7,9H2,1-2H3/b18-16+.
What are the key properties of 3-imino-2-(2-methoxy-6-methylphenyl)-6,8-dihydro-5H-pyrano[3,4-c]pyridazine-4-carbonitrile?
3-imino-2-(2-methoxy-6-methylphenyl)-6,8-dihydro-5H-pyrano[3,4-c]pyridazine-4-carbonitrile has a molecular weight of 296.33 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-2-(2-methoxy-6-methylphenyl)-6,8-dihydro-5H-pyrano[3,4-c]pyridazine-4-carbonitrile is sourced from PubChem (CID 91228874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).