5-amino-4-[(Z)-2-aminoprop-1-enyl]-1H-pyridazin-6-one

C7H10N4O — CID 145187944

IUPAC5-amino-4-[(Z)-2-aminoprop-1-enyl]-1H-pyridazin-6-one
SMILESC/C(N)=C/c1cn[nH]c(=O)c1N
InChIInChI=1S/C7H10N4O/c1-4(8)2-5-3-10-11-7(12)6(5)9/h2-3H,8H2,1H3,(H2,9,10)(H,11,12)/b4-2-
InChIKeyPOMFWDXNKDUTLJ-RQOWECAXSA-N
MW166.18 g/mol
LogP-0.33
Rot. Bonds1

About 5-amino-4-[(Z)-2-aminoprop-1-enyl]-1H-pyridazin-6-one

5-amino-4-[(Z)-2-aminoprop-1-enyl]-1H-pyridazin-6-one (PubChem CID 145187944) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-amino-4-[(Z)-2-aminoprop-1-enyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-4-[(Z)-2-aminoprop-1-enyl]-1H-pyridazin-6-one
PubChem CID145187944
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name5-amino-4-[(Z)-2-aminoprop-1-enyl]-1H-pyridazin-6-one
SMILESC/C(N)=C/c1cn[nH]c(=O)c1N
InChIInChI=1S/C7H10N4O/c1-4(8)2-5-3-10-11-7(12)6(5)9/h2-3H,8H2,1H3,(H2,9,10)(H,11,12)/b4-2-
InChIKeyPOMFWDXNKDUTLJ-RQOWECAXSA-N
XLogP-0.33
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(Z)-2-aminoprop-1-enyl]-1H-pyridazin-6-one?
The IUPAC name of 5-amino-4-[(Z)-2-aminoprop-1-enyl]-1H-pyridazin-6-one (CID 145187944) is 5-amino-4-[(Z)-2-aminoprop-1-enyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-4-[(Z)-2-aminoprop-1-enyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-4-[(Z)-2-aminoprop-1-enyl]-1H-pyridazin-6-one is C/C(N)=C/c1cn[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(Z)-2-aminoprop-1-enyl]-1H-pyridazin-6-one?
The InChIKey is POMFWDXNKDUTLJ-RQOWECAXSA-N. The full InChI is InChI=1S/C7H10N4O/c1-4(8)2-5-3-10-11-7(12)6(5)9/h2-3H,8H2,1H3,(H2,9,10)(H,11,12)/b4-2-.
What are the key properties of 5-amino-4-[(Z)-2-aminoprop-1-enyl]-1H-pyridazin-6-one?
5-amino-4-[(Z)-2-aminoprop-1-enyl]-1H-pyridazin-6-one has a molecular weight of 166.18 g/mol, XLogP of -0.33, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(Z)-2-aminoprop-1-enyl]-1H-pyridazin-6-one is sourced from PubChem (CID 145187944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).