5-chloro-2-(cyclopropylmethyl)-4-(1-imidazol-1-ylpropan-2-ylamino)pyridazin-3-one

C14H18ClN5O — CID 114435707

IUPAC5-chloro-2-(cyclopropylmethyl)-4-(1-imidazol-1-ylpropan-2-ylamino)pyridazin-3-one
SMILESCC(Cn1ccnc1)Nc1c(Cl)cnn(CC2CC2)c1=O
InChIInChI=1S/C14H18ClN5O/c1-10(7-19-5-4-16-9-19)18-13-12(15)6-17-20(14(13)21)8-11-2-3-11/h4-6,9-11,18H,2-3,7-8H2,1H3
InChIKeyZIUBEYKTDDOWHE-UHFFFAOYSA-N
MW307.79 g/mol
LogP2.00
Rot. Bonds6

About 5-chloro-2-(cyclopropylmethyl)-4-(1-imidazol-1-ylpropan-2-ylamino)pyridazin-3-one

5-chloro-2-(cyclopropylmethyl)-4-(1-imidazol-1-ylpropan-2-ylamino)pyridazin-3-one (PubChem CID 114435707) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 5-chloro-2-(cyclopropylmethyl)-4-(1-imidazol-1-ylpropan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclopropylmethyl)-4-(1-imidazol-1-ylpropan-2-ylamino)pyridazin-3-one
PubChem CID114435707
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name5-chloro-2-(cyclopropylmethyl)-4-(1-imidazol-1-ylpropan-2-ylamino)pyridazin-3-one
SMILESCC(Cn1ccnc1)Nc1c(Cl)cnn(CC2CC2)c1=O
InChIInChI=1S/C14H18ClN5O/c1-10(7-19-5-4-16-9-19)18-13-12(15)6-17-20(14(13)21)8-11-2-3-11/h4-6,9-11,18H,2-3,7-8H2,1H3
InChIKeyZIUBEYKTDDOWHE-UHFFFAOYSA-N
XLogP2.00
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-(cyclobutylmethyl)-4-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one
CID 114438346
5-chloro-2-(cyclopropylmethyl)-4-(4-methoxybutan-2-ylamino)pyridazin-3-one
CID 114438940
5-chloro-4-(1-cyclopentylethylamino)-2-(cyclopropylmethyl)pyridazin-3-one
CID 114438447
5-chloro-2-(cyclopropylmethyl)-4-(dicyclopropylmethylamino)pyridazin-3-one
CID 114435680
5-chloro-2-(cyclobutylmethyl)-4-(1-ethoxypropan-2-ylamino)pyridazin-3-one
CID 114436339
5-chloro-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one
CID 114436917
2-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N-methylpropanamide
CID 114435337
5-chloro-2-(cyclopropylmethyl)-4-(1-phenylethylamino)pyridazin-3-one
CID 114431879
5-chloro-2-(cyclopropylmethyl)-4-(1-pyridin-2-ylethylamino)pyridazin-3-one
CID 114433303
5-chloro-2-(cyclopropylmethyl)-4-(2-propan-2-yloxyethylamino)pyridazin-3-one
CID 114441785
5-chloro-2-(cyclopropylmethyl)-4-(hexan-3-ylamino)pyridazin-3-one
CID 114436822
5-chloro-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one
CID 114435325

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-(1-imidazol-1-ylpropan-2-ylamino)pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-(1-imidazol-1-ylpropan-2-ylamino)pyridazin-3-one (CID 114435707) is 5-chloro-2-(cyclopropylmethyl)-4-(1-imidazol-1-ylpropan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclopropylmethyl)-4-(1-imidazol-1-ylpropan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclopropylmethyl)-4-(1-imidazol-1-ylpropan-2-ylamino)pyridazin-3-one is CC(Cn1ccnc1)Nc1c(Cl)cnn(CC2CC2)c1=O.
What is the InChIKey of 5-chloro-2-(cyclopropylmethyl)-4-(1-imidazol-1-ylpropan-2-ylamino)pyridazin-3-one?
The InChIKey is ZIUBEYKTDDOWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-10(7-19-5-4-16-9-19)18-13-12(15)6-17-20(14(13)21)8-11-2-3-11/h4-6,9-11,18H,2-3,7-8H2,1H3.
What are the key properties of 5-chloro-2-(cyclopropylmethyl)-4-(1-imidazol-1-ylpropan-2-ylamino)pyridazin-3-one?
5-chloro-2-(cyclopropylmethyl)-4-(1-imidazol-1-ylpropan-2-ylamino)pyridazin-3-one has a molecular weight of 307.79 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclopropylmethyl)-4-(1-imidazol-1-ylpropan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 114435707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).