6-amino-2-(2-methylpentyl)pyridazin-3-one

C10H17N3O — CID 116788206

IUPAC6-amino-2-(2-methylpentyl)pyridazin-3-one
SMILESCCCC(C)Cn1nc(N)ccc1=O
InChIInChI=1S/C10H17N3O/c1-3-4-8(2)7-13-10(14)6-5-9(11)12-13/h5-6,8H,3-4,7H2,1-2H3,(H2,11,12)
InChIKeyRVDDGGUGQPGNMJ-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.26
Rot. Bonds4

About 6-amino-2-(2-methylpentyl)pyridazin-3-one

6-amino-2-(2-methylpentyl)pyridazin-3-one (PubChem CID 116788206) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 6-amino-2-(2-methylpentyl)pyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-(2-methylpentyl)pyridazin-3-one
PubChem CID116788206
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name6-amino-2-(2-methylpentyl)pyridazin-3-one
SMILESCCCC(C)Cn1nc(N)ccc1=O
InChIInChI=1S/C10H17N3O/c1-3-4-8(2)7-13-10(14)6-5-9(11)12-13/h5-6,8H,3-4,7H2,1-2H3,(H2,11,12)
InChIKeyRVDDGGUGQPGNMJ-UHFFFAOYSA-N
XLogP1.26
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpentyl)pyrazol-3-amine
CID 62267103
5-amino-6-methyl-1-(2-methylpentyl)pyridin-2-one
CID 165473640
6-amino-2-(2-propylsulfonylethyl)pyridazin-3-one
CID 106729463
6-amino-2-butan-2-ylpyridazin-3-one;hydrochloride
CID 166653623
2-(3-amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium
CID 168824389
2-(3-amino-6-oxopyridazin-1-yl)-N,N-diethylacetamide
CID 116788262
2-(3-bromo-2-methylpropyl)-6-methylpyridazin-3-one
CID 64995557
6-amino-2-pent-3-ynylpyridazin-3-one
CID 116788413
6-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 114526571
2-[(2S)-2-aminopropyl]-6-methylpyridazin-3-one
CID 94898157
6-amino-2-(3-hydroxypropyl)pyridazin-3-one
CID 116788210
6-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 116788353

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-methylpentyl)pyridazin-3-one?
The IUPAC name of 6-amino-2-(2-methylpentyl)pyridazin-3-one (CID 116788206) is 6-amino-2-(2-methylpentyl)pyridazin-3-one.
What is the SMILES notation for 6-amino-2-(2-methylpentyl)pyridazin-3-one?
The canonical SMILES for 6-amino-2-(2-methylpentyl)pyridazin-3-one is CCCC(C)Cn1nc(N)ccc1=O.
What is the InChIKey of 6-amino-2-(2-methylpentyl)pyridazin-3-one?
The InChIKey is RVDDGGUGQPGNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-4-8(2)7-13-10(14)6-5-9(11)12-13/h5-6,8H,3-4,7H2,1-2H3,(H2,11,12).
What are the key properties of 6-amino-2-(2-methylpentyl)pyridazin-3-one?
6-amino-2-(2-methylpentyl)pyridazin-3-one has a molecular weight of 195.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-methylpentyl)pyridazin-3-one is sourced from PubChem (CID 116788206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).