5-amino-4-propyl-1H-pyridazin-6-one

C7H11N3O — CID 117127391

IUPAC5-amino-4-propyl-1H-pyridazin-6-one
SMILESCCCc1cn[nH]c(=O)c1N
InChIInChI=1S/C7H11N3O/c1-2-3-5-4-9-10-7(11)6(5)8/h4H,2-3H2,1H3,(H2,8,9)(H,10,11)
InChIKeyJWDDBAFTAKAGDP-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.30
Rot. Bonds2

About 5-amino-4-propyl-1H-pyridazin-6-one

5-amino-4-propyl-1H-pyridazin-6-one (PubChem CID 117127391) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 5-amino-4-propyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-4-propyl-1H-pyridazin-6-one
PubChem CID117127391
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name5-amino-4-propyl-1H-pyridazin-6-one
SMILESCCCc1cn[nH]c(=O)c1N
InChIInChI=1S/C7H11N3O/c1-2-3-5-4-9-10-7(11)6(5)8/h4H,2-3H2,1H3,(H2,8,9)(H,10,11)
InChIKeyJWDDBAFTAKAGDP-UHFFFAOYSA-N
XLogP0.30
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,7-dihydro-3H-pyrido[2,3-d]pyridazin-8-one
CID 54197102
5-Propyl-2,3-dihydropyridazin-3-one
CID 20061671
4-ethyl-5-methyl-1H-pyridazin-6-one
CID 21453493
4-acetyl-5-amino-1H-pyridazin-6-one
CID 68892644
5-amino-4-pentyl-1H-pyridazin-6-one
CID 69019844
5-amino-4-methyl-1H-pyridazin-6-one
CID 83680622
butane;5-(ethylideneamino)-4-methyl-3-propan-2-yl-1H-pyridazin-6-one
CID 168980142
4-butyl-5-methyl-1H-pyridazin-6-one;ethane
CID 172299292
5-amino-4-prop-2-enyl-1H-pyridazin-6-one
CID 174490166
5-amino-4-ethyl-1H-pyridazin-6-one
CID 117127390
5-amino-4-(2-methylpropyl)-1H-pyridazin-6-one
CID 117127392
5-amino-4-(2,2-dimethylpropyl)-1H-pyridazin-6-one
CID 117127393

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-propyl-1H-pyridazin-6-one?
The IUPAC name of 5-amino-4-propyl-1H-pyridazin-6-one (CID 117127391) is 5-amino-4-propyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-4-propyl-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-4-propyl-1H-pyridazin-6-one is CCCc1cn[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-propyl-1H-pyridazin-6-one?
The InChIKey is JWDDBAFTAKAGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-3-5-4-9-10-7(11)6(5)8/h4H,2-3H2,1H3,(H2,8,9)(H,10,11).
What are the key properties of 5-amino-4-propyl-1H-pyridazin-6-one?
5-amino-4-propyl-1H-pyridazin-6-one has a molecular weight of 153.18 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-propyl-1H-pyridazin-6-one is sourced from PubChem (CID 117127391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).