4-(aminomethyl)-5-chloro-1H-pyridazin-6-one

C5H6ClN3O — CID 84650975

IUPAC4-(aminomethyl)-5-chloro-1H-pyridazin-6-one
SMILESNCc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C5H6ClN3O/c6-4-3(1-7)2-8-9-5(4)10/h2H,1,7H2,(H,9,10)
InChIKeyZVVBNUSYXNHZTO-UHFFFAOYSA-N
MW159.58 g/mol
LogP-0.12
Rot. Bonds1

About 4-(aminomethyl)-5-chloro-1H-pyridazin-6-one

4-(aminomethyl)-5-chloro-1H-pyridazin-6-one (PubChem CID 84650975) has the molecular formula C5H6ClN3O and a molecular weight of 159.58 g/mol. Its IUPAC name is 4-(aminomethyl)-5-chloro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(aminomethyl)-5-chloro-1H-pyridazin-6-one
PubChem CID84650975
Molecular FormulaC5H6ClN3O
Molecular Weight159.58 g/mol
Exact Mass159.02
IUPAC Name4-(aminomethyl)-5-chloro-1H-pyridazin-6-one
SMILESNCc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C5H6ClN3O/c6-4-3(1-7)2-8-9-5(4)10/h2H,1,7H2,(H,9,10)
InChIKeyZVVBNUSYXNHZTO-UHFFFAOYSA-N
XLogP-0.12
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.58
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-methyl-1H-pyridazin-6-one;ethane
CID 143900026
4-[1-aminopropan-2-yl(methyl)amino]-5-chloro-1H-pyridazin-6-one
CID 127006864
tert-butyl N-[(5-chloro-6-oxo-1H-pyridazin-4-yl)methyl]carbamate
CID 169128766
N-(5-chloro-6-oxo-1H-pyridazin-4-yl)acetamide
CID 23263238
1-[4-(aminomethyl)-1H-pyrazol-5-yl]pyrrolidine-2,5-dione
CID 79503456
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride
CID 53444369
5-chloro-4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one
CID 80746939
5-chloro-4-(prop-2-ynylamino)-1H-pyridazin-6-one
CID 78913319
[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methanamine
CID 79487686
5-chloro-4-(2,2-difluoroethylamino)-1H-pyridazin-6-one
CID 79098505
4-[2-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyridazin-6-one
CID 80746229
(6-chloro-1H-indazol-5-yl)methanamine
CID 117109495

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-chloro-1H-pyridazin-6-one?
The IUPAC name of 4-(aminomethyl)-5-chloro-1H-pyridazin-6-one (CID 84650975) is 4-(aminomethyl)-5-chloro-1H-pyridazin-6-one.
What is the SMILES notation for 4-(aminomethyl)-5-chloro-1H-pyridazin-6-one?
The canonical SMILES for 4-(aminomethyl)-5-chloro-1H-pyridazin-6-one is NCc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 4-(aminomethyl)-5-chloro-1H-pyridazin-6-one?
The InChIKey is ZVVBNUSYXNHZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O/c6-4-3(1-7)2-8-9-5(4)10/h2H,1,7H2,(H,9,10).
What are the key properties of 4-(aminomethyl)-5-chloro-1H-pyridazin-6-one?
4-(aminomethyl)-5-chloro-1H-pyridazin-6-one has a molecular weight of 159.58 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-chloro-1H-pyridazin-6-one is sourced from PubChem (CID 84650975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).