5-amino-4-propan-2-yl-1H-pyridazin-6-one

C7H11N3O — CID 117127397

IUPAC5-amino-4-propan-2-yl-1H-pyridazin-6-one
SMILESCC(C)c1cn[nH]c(=O)c1N
InChIInChI=1S/C7H11N3O/c1-4(2)5-3-9-10-7(11)6(5)8/h3-4H,1-2H3,(H2,8,9)(H,10,11)
InChIKeyPKBFNXPIVKVESH-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.48
Rot. Bonds1

About 5-amino-4-propan-2-yl-1H-pyridazin-6-one

5-amino-4-propan-2-yl-1H-pyridazin-6-one (PubChem CID 117127397) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 5-amino-4-propan-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-4-propan-2-yl-1H-pyridazin-6-one
PubChem CID117127397
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name5-amino-4-propan-2-yl-1H-pyridazin-6-one
SMILESCC(C)c1cn[nH]c(=O)c1N
InChIInChI=1S/C7H11N3O/c1-4(2)5-3-9-10-7(11)6(5)8/h3-4H,1-2H3,(H2,8,9)(H,10,11)
InChIKeyPKBFNXPIVKVESH-UHFFFAOYSA-N
XLogP0.48
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-propan-2-yl-1H-pyridazin-6-one?
The IUPAC name of 5-amino-4-propan-2-yl-1H-pyridazin-6-one (CID 117127397) is 5-amino-4-propan-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-4-propan-2-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-4-propan-2-yl-1H-pyridazin-6-one is CC(C)c1cn[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-propan-2-yl-1H-pyridazin-6-one?
The InChIKey is PKBFNXPIVKVESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-4(2)5-3-9-10-7(11)6(5)8/h3-4H,1-2H3,(H2,8,9)(H,10,11).
What are the key properties of 5-amino-4-propan-2-yl-1H-pyridazin-6-one?
5-amino-4-propan-2-yl-1H-pyridazin-6-one has a molecular weight of 153.18 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-propan-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 117127397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).