4-bromo-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one

C10H14BrN7O — CID 114436429

IUPAC4-bromo-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one
SMILESCCCn1ncc(NC(C)c2nn[nH]n2)c(Br)c1=O
InChIInChI=1S/C10H14BrN7O/c1-3-4-18-10(19)8(11)7(5-12-18)13-6(2)9-14-16-17-15-9/h5-6,13H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKeySKYNZZRBAAIPEV-UHFFFAOYSA-N
MW328.17 g/mol
LogP1.10
Rot. Bonds5

About 4-bromo-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one

4-bromo-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one (PubChem CID 114436429) has the molecular formula C10H14BrN7O and a molecular weight of 328.17 g/mol. Its IUPAC name is 4-bromo-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one
PubChem CID114436429
Molecular FormulaC10H14BrN7O
Molecular Weight328.17 g/mol
Exact Mass327.04
IUPAC Name4-bromo-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one
SMILESCCCn1ncc(NC(C)c2nn[nH]n2)c(Br)c1=O
InChIInChI=1S/C10H14BrN7O/c1-3-4-18-10(19)8(11)7(5-12-18)13-6(2)9-14-16-17-15-9/h5-6,13H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKeySKYNZZRBAAIPEV-UHFFFAOYSA-N
XLogP1.10
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one
CID 114436433
4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one
CID 114438460
4-bromo-5-(4-methylsulfinylbutan-2-ylamino)-2-propylpyridazin-3-one
CID 114442791
4-chloro-5-[1-(2H-tetrazol-5-yl)ethylamino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114436419
4-bromo-2-butyl-5-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one
CID 106282933
4-chloro-2-prop-2-enyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one
CID 114436426
4-bromo-5-(2-ethoxypropylamino)-2-propylpyridazin-3-one
CID 114442219
4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one
CID 114444606
4-bromo-5-(2-methylsulfanylpropylamino)-2-propylpyridazin-3-one
CID 114442028
4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one
CID 114436154
4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one
CID 114435834
4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one
CID 114433336

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one (CID 114436429) is 4-bromo-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one is CCCn1ncc(NC(C)c2nn[nH]n2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one?
The InChIKey is SKYNZZRBAAIPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN7O/c1-3-4-18-10(19)8(11)7(5-12-18)13-6(2)9-14-16-17-15-9/h5-6,13H,3-4H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-bromo-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one?
4-bromo-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one has a molecular weight of 328.17 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 114436429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).