4-bromo-2-(cyclopropylmethyl)-5-(hexan-2-ylamino)pyridazin-3-one

C14H22BrN3O — CID 114436921

IUPAC4-bromo-2-(cyclopropylmethyl)-5-(hexan-2-ylamino)pyridazin-3-one
SMILESCCCCC(C)Nc1cnn(CC2CC2)c(=O)c1Br
InChIInChI=1S/C14H22BrN3O/c1-3-4-5-10(2)17-12-8-16-18(9-11-6-7-11)14(19)13(12)15/h8,10-11,17H,3-7,9H2,1-2H3
InChIKeyGHXHMQFJBABJNV-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.41
Rot. Bonds7

About 4-bromo-2-(cyclopropylmethyl)-5-(hexan-2-ylamino)pyridazin-3-one

4-bromo-2-(cyclopropylmethyl)-5-(hexan-2-ylamino)pyridazin-3-one (PubChem CID 114436921) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-bromo-2-(cyclopropylmethyl)-5-(hexan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(cyclopropylmethyl)-5-(hexan-2-ylamino)pyridazin-3-one
PubChem CID114436921
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name4-bromo-2-(cyclopropylmethyl)-5-(hexan-2-ylamino)pyridazin-3-one
SMILESCCCCC(C)Nc1cnn(CC2CC2)c(=O)c1Br
InChIInChI=1S/C14H22BrN3O/c1-3-4-5-10(2)17-12-8-16-18(9-11-6-7-11)14(19)13(12)15/h8,10-11,17H,3-7,9H2,1-2H3
InChIKeyGHXHMQFJBABJNV-UHFFFAOYSA-N
XLogP3.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-butyl-5-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one
CID 114438353
5-bromo-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one
CID 114436910
4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one
CID 114436919
5-chloro-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one
CID 114436917
4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one
CID 114431676
4-bromo-5-(heptan-2-ylamino)-2-prop-2-enylpyridazin-3-one
CID 114435365
4-bromo-2-(cyclopropylmethyl)-5-(1-phenylethylamino)pyridazin-3-one
CID 114431893
5-bromo-2-(cyclobutylmethyl)-4-(heptan-2-ylamino)pyridazin-3-one
CID 114435361
4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one
CID 114433336
4-bromo-5-(pentan-2-ylamino)-2-prop-2-ynylpyridazin-3-one
CID 114431978
4-bromo-2-(cyclopropylmethyl)-5-[(3-hydroxy-2-methylbutan-2-yl)amino]pyridazin-3-one
CID 114443213
4-bromo-2-(cyclopropylmethyl)-5-(2-methoxypropylamino)pyridazin-3-one
CID 102698914

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(cyclopropylmethyl)-5-(hexan-2-ylamino)pyridazin-3-one?
The IUPAC name of 4-bromo-2-(cyclopropylmethyl)-5-(hexan-2-ylamino)pyridazin-3-one (CID 114436921) is 4-bromo-2-(cyclopropylmethyl)-5-(hexan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(cyclopropylmethyl)-5-(hexan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(cyclopropylmethyl)-5-(hexan-2-ylamino)pyridazin-3-one is CCCCC(C)Nc1cnn(CC2CC2)c(=O)c1Br.
What is the InChIKey of 4-bromo-2-(cyclopropylmethyl)-5-(hexan-2-ylamino)pyridazin-3-one?
The InChIKey is GHXHMQFJBABJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-3-4-5-10(2)17-12-8-16-18(9-11-6-7-11)14(19)13(12)15/h8,10-11,17H,3-7,9H2,1-2H3.
What are the key properties of 4-bromo-2-(cyclopropylmethyl)-5-(hexan-2-ylamino)pyridazin-3-one?
4-bromo-2-(cyclopropylmethyl)-5-(hexan-2-ylamino)pyridazin-3-one has a molecular weight of 328.25 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(cyclopropylmethyl)-5-(hexan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 114436921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).