4-amino-6-cyclopropyl-2-propan-2-ylpyridazin-3-one

C10H15N3O — CID 157041980

IUPAC4-amino-6-cyclopropyl-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(C2CC2)cc(N)c1=O
InChIInChI=1S/C10H15N3O/c1-6(2)13-10(14)8(11)5-9(12-13)7-3-4-7/h5-7H,3-4,11H2,1-2H3
InChIKeyRHDUYCBQKVOHCR-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.28
Rot. Bonds2

About 4-amino-6-cyclopropyl-2-propan-2-ylpyridazin-3-one

4-amino-6-cyclopropyl-2-propan-2-ylpyridazin-3-one (PubChem CID 157041980) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-amino-6-cyclopropyl-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-6-cyclopropyl-2-propan-2-ylpyridazin-3-one
PubChem CID157041980
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-amino-6-cyclopropyl-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(C2CC2)cc(N)c1=O
InChIInChI=1S/C10H15N3O/c1-6(2)13-10(14)8(11)5-9(12-13)7-3-4-7/h5-7H,3-4,11H2,1-2H3
InChIKeyRHDUYCBQKVOHCR-UHFFFAOYSA-N
XLogP1.28
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-cyclopropyl-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-amino-6-cyclopropyl-2-propan-2-ylpyridazin-3-one (CID 157041980) is 4-amino-6-cyclopropyl-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-amino-6-cyclopropyl-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-amino-6-cyclopropyl-2-propan-2-ylpyridazin-3-one is CC(C)n1nc(C2CC2)cc(N)c1=O.
What is the InChIKey of 4-amino-6-cyclopropyl-2-propan-2-ylpyridazin-3-one?
The InChIKey is RHDUYCBQKVOHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-6(2)13-10(14)8(11)5-9(12-13)7-3-4-7/h5-7H,3-4,11H2,1-2H3.
What are the key properties of 4-amino-6-cyclopropyl-2-propan-2-ylpyridazin-3-one?
4-amino-6-cyclopropyl-2-propan-2-ylpyridazin-3-one has a molecular weight of 193.25 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-cyclopropyl-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 157041980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).