4-amino-7-propan-2-yl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione

C10H12N4O2 — CID 137279206

IUPAC4-amino-7-propan-2-yl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione
SMILESCC(C)c1cc2c(=O)[nH]nc(N)c2c(=O)[nH]1
InChIInChI=1S/C10H12N4O2/c1-4(2)6-3-5-7(10(16)12-6)8(11)13-14-9(5)15/h3-4H,1-2H3,(H2,11,13)(H,12,16)(H,14,15)
InChIKeyXAWZAJQKTINIQV-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.32
Rot. Bonds1

About 4-amino-7-propan-2-yl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione

4-amino-7-propan-2-yl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione (PubChem CID 137279206) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-amino-7-propan-2-yl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione.

Molecular Properties

Compound Name4-amino-7-propan-2-yl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione
PubChem CID137279206
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name4-amino-7-propan-2-yl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione
SMILESCC(C)c1cc2c(=O)[nH]nc(N)c2c(=O)[nH]1
InChIInChI=1S/C10H12N4O2/c1-4(2)6-3-5-7(10(16)12-6)8(11)13-14-9(5)15/h3-4H,1-2H3,(H2,11,13)(H,12,16)(H,14,15)
InChIKeyXAWZAJQKTINIQV-UHFFFAOYSA-N
XLogP0.32
TPSA104.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-propan-2-yl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione?
The IUPAC name of 4-amino-7-propan-2-yl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione (CID 137279206) is 4-amino-7-propan-2-yl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione.
What is the SMILES notation for 4-amino-7-propan-2-yl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione?
The canonical SMILES for 4-amino-7-propan-2-yl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione is CC(C)c1cc2c(=O)[nH]nc(N)c2c(=O)[nH]1.
What is the InChIKey of 4-amino-7-propan-2-yl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione?
The InChIKey is XAWZAJQKTINIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-4(2)6-3-5-7(10(16)12-6)8(11)13-14-9(5)15/h3-4H,1-2H3,(H2,11,13)(H,12,16)(H,14,15).
What are the key properties of 4-amino-7-propan-2-yl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione?
4-amino-7-propan-2-yl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione has a molecular weight of 220.23 g/mol, XLogP of 0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-propan-2-yl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione is sourced from PubChem (CID 137279206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).