4-(2-methylpentan-3-ylamino)-1H-pyridazin-6-one

C10H17N3O — CID 114392071

IUPAC4-(2-methylpentan-3-ylamino)-1H-pyridazin-6-one
SMILESCCC(Nc1cn[nH]c(=O)c1)C(C)C
InChIInChI=1S/C10H17N3O/c1-4-9(7(2)3)12-8-5-10(14)13-11-6-8/h5-7,9H,4H2,1-3H3,(H2,12,13,14)
InChIKeyPOZOHMBWIQVNRU-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.62
Rot. Bonds4

About 4-(2-methylpentan-3-ylamino)-1H-pyridazin-6-one

4-(2-methylpentan-3-ylamino)-1H-pyridazin-6-one (PubChem CID 114392071) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(2-methylpentan-3-ylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(2-methylpentan-3-ylamino)-1H-pyridazin-6-one
PubChem CID114392071
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-(2-methylpentan-3-ylamino)-1H-pyridazin-6-one
SMILESCCC(Nc1cn[nH]c(=O)c1)C(C)C
InChIInChI=1S/C10H17N3O/c1-4-9(7(2)3)12-8-5-10(14)13-11-6-8/h5-7,9H,4H2,1-3H3,(H2,12,13,14)
InChIKeyPOZOHMBWIQVNRU-UHFFFAOYSA-N
XLogP1.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(pentan-3-ylamino)-1H-pyridazin-6-one
CID 114391867
4-(1-hydroxypropan-2-ylamino)-1H-pyridazin-6-one
CID 114391952
4-(5-hydroxypentan-2-ylamino)-1H-pyridazin-6-one
CID 114392355
4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one
CID 114392475
4-(4-hydroxypentan-2-ylamino)-1H-pyridazin-6-one
CID 114392438
4-(1-methylsulfonylpropan-2-ylamino)-1H-pyridazin-6-one
CID 114392237
methyl 3-methyl-2-[(6-oxo-1H-pyridazin-4-yl)amino]butanoate
CID 114392106
4-(4-methylsulfinylbutan-2-ylamino)-1H-pyridazin-6-one
CID 114392507
4-(3-methylbutylamino)-1H-pyridazin-6-one
CID 114391891
4-(2-methylhydrazinyl)-1H-pyridazin-6-one
CID 142128565
4-(2-ethoxyethylamino)-1H-pyridazin-6-one
CID 114391849
4-(4-propan-2-yloxybutylamino)-1H-pyridazin-6-one
CID 106016840

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpentan-3-ylamino)-1H-pyridazin-6-one?
The IUPAC name of 4-(2-methylpentan-3-ylamino)-1H-pyridazin-6-one (CID 114392071) is 4-(2-methylpentan-3-ylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(2-methylpentan-3-ylamino)-1H-pyridazin-6-one?
The canonical SMILES for 4-(2-methylpentan-3-ylamino)-1H-pyridazin-6-one is CCC(Nc1cn[nH]c(=O)c1)C(C)C.
What is the InChIKey of 4-(2-methylpentan-3-ylamino)-1H-pyridazin-6-one?
The InChIKey is POZOHMBWIQVNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-9(7(2)3)12-8-5-10(14)13-11-6-8/h5-7,9H,4H2,1-3H3,(H2,12,13,14).
What are the key properties of 4-(2-methylpentan-3-ylamino)-1H-pyridazin-6-one?
4-(2-methylpentan-3-ylamino)-1H-pyridazin-6-one has a molecular weight of 195.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentan-3-ylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 114392071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).