5-(cyclopropylmethylamino)-2-(3-imidazol-1-ylpropyl)pyridazin-3-one

C14H19N5O — CID 103221752

IUPAC5-(cyclopropylmethylamino)-2-(3-imidazol-1-ylpropyl)pyridazin-3-one
SMILESO=c1cc(NCC2CC2)cnn1CCCn1ccnc1
InChIInChI=1S/C14H19N5O/c20-14-8-13(16-9-12-2-3-12)10-17-19(14)6-1-5-18-7-4-15-11-18/h4,7-8,10-12,16H,1-3,5-6,9H2
InChIKeyKSKVITHCZSJKCG-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.35
Rot. Bonds7

About 5-(cyclopropylmethylamino)-2-(3-imidazol-1-ylpropyl)pyridazin-3-one

5-(cyclopropylmethylamino)-2-(3-imidazol-1-ylpropyl)pyridazin-3-one (PubChem CID 103221752) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(cyclopropylmethylamino)-2-(3-imidazol-1-ylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclopropylmethylamino)-2-(3-imidazol-1-ylpropyl)pyridazin-3-one
PubChem CID103221752
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name5-(cyclopropylmethylamino)-2-(3-imidazol-1-ylpropyl)pyridazin-3-one
SMILESO=c1cc(NCC2CC2)cnn1CCCn1ccnc1
InChIInChI=1S/C14H19N5O/c20-14-8-13(16-9-12-2-3-12)10-17-19(14)6-1-5-18-7-4-15-11-18/h4,7-8,10-12,16H,1-3,5-6,9H2
InChIKeyKSKVITHCZSJKCG-UHFFFAOYSA-N
XLogP1.35
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(cyclopropylmethylamino)-2-(3-hydroxypropyl)pyridazin-3-one
CID 103221824
5-(2-aminoethoxy)-2-(3-imidazol-1-ylpropyl)pyridazin-3-one
CID 103222662
4-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile
CID 103221934
2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]acetamide
CID 103221823
N-cyclopropyl-2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]acetamide
CID 103221777
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one
CID 103222013
5-(cyclopropylmethylamino)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one
CID 103221982
2-[(2-chlorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one
CID 103221743
4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one
CID 114392088
3-ethyl-1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione
CID 64881155
5-(cyclobutylamino)-2-nonylpyridazin-3-one
CID 103220396
2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223613

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethylamino)-2-(3-imidazol-1-ylpropyl)pyridazin-3-one?
The IUPAC name of 5-(cyclopropylmethylamino)-2-(3-imidazol-1-ylpropyl)pyridazin-3-one (CID 103221752) is 5-(cyclopropylmethylamino)-2-(3-imidazol-1-ylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-(cyclopropylmethylamino)-2-(3-imidazol-1-ylpropyl)pyridazin-3-one?
The canonical SMILES for 5-(cyclopropylmethylamino)-2-(3-imidazol-1-ylpropyl)pyridazin-3-one is O=c1cc(NCC2CC2)cnn1CCCn1ccnc1.
What is the InChIKey of 5-(cyclopropylmethylamino)-2-(3-imidazol-1-ylpropyl)pyridazin-3-one?
The InChIKey is KSKVITHCZSJKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c20-14-8-13(16-9-12-2-3-12)10-17-19(14)6-1-5-18-7-4-15-11-18/h4,7-8,10-12,16H,1-3,5-6,9H2.
What are the key properties of 5-(cyclopropylmethylamino)-2-(3-imidazol-1-ylpropyl)pyridazin-3-one?
5-(cyclopropylmethylamino)-2-(3-imidazol-1-ylpropyl)pyridazin-3-one has a molecular weight of 273.34 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethylamino)-2-(3-imidazol-1-ylpropyl)pyridazin-3-one is sourced from PubChem (CID 103221752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).