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

C14H22ClN3O — CID 114436822

IUPAC5-chloro-2-(cyclopropylmethyl)-4-(hexan-3-ylamino)pyridazin-3-one
SMILESCCCC(CC)Nc1c(Cl)cnn(CC2CC2)c1=O
InChIInChI=1S/C14H22ClN3O/c1-3-5-11(4-2)17-13-12(15)8-16-18(14(13)19)9-10-6-7-10/h8,10-11,17H,3-7,9H2,1-2H3
InChIKeyRVXFIYLVEQONKW-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.30
Rot. Bonds7

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

5-chloro-2-(cyclopropylmethyl)-4-(hexan-3-ylamino)pyridazin-3-one (PubChem CID 114436822) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 5-chloro-2-(cyclopropylmethyl)-4-(hexan-3-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclopropylmethyl)-4-(hexan-3-ylamino)pyridazin-3-one
PubChem CID114436822
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name5-chloro-2-(cyclopropylmethyl)-4-(hexan-3-ylamino)pyridazin-3-one
SMILESCCCC(CC)Nc1c(Cl)cnn(CC2CC2)c1=O
InChIInChI=1S/C14H22ClN3O/c1-3-5-11(4-2)17-13-12(15)8-16-18(14(13)19)9-10-6-7-10/h8,10-11,17H,3-7,9H2,1-2H3
InChIKeyRVXFIYLVEQONKW-UHFFFAOYSA-N
XLogP3.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(cyclobutylmethyl)-4-(1-hydroxybutan-2-ylamino)pyridazin-3-one
CID 114433171
5-chloro-2-(cyclobutylmethyl)-4-(1-methoxybutan-2-ylamino)pyridazin-3-one
CID 114438636
5-chloro-2-(cyclopropylmethyl)-4-(dicyclopropylmethylamino)pyridazin-3-one
CID 114435680
5-chloro-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one
CID 114436917
5-chloro-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one
CID 114435325
5-chloro-4-(1-cyclopentylethylamino)-2-(cyclopropylmethyl)pyridazin-3-one
CID 114438447
5-chloro-2-(cyclopropylmethyl)-4-(4-methoxybutan-2-ylamino)pyridazin-3-one
CID 114438940
4-(butylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114432144
5-chloro-2-(cyclobutylmethyl)-4-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one
CID 114438346
5-chloro-2-(cyclopropylmethyl)-4-(1-phenylethylamino)pyridazin-3-one
CID 114431879
2-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N-methylpropanamide
CID 114435337
5-chloro-2-(cyclopropylmethyl)-4-[1-(oxolan-3-yl)ethylamino]pyridazin-3-one
CID 114443407

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-(hexan-3-ylamino)pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-(hexan-3-ylamino)pyridazin-3-one (CID 114436822) is 5-chloro-2-(cyclopropylmethyl)-4-(hexan-3-ylamino)pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclopropylmethyl)-4-(hexan-3-ylamino)pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclopropylmethyl)-4-(hexan-3-ylamino)pyridazin-3-one is CCCC(CC)Nc1c(Cl)cnn(CC2CC2)c1=O.
What is the InChIKey of 5-chloro-2-(cyclopropylmethyl)-4-(hexan-3-ylamino)pyridazin-3-one?
The InChIKey is RVXFIYLVEQONKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-3-5-11(4-2)17-13-12(15)8-16-18(14(13)19)9-10-6-7-10/h8,10-11,17H,3-7,9H2,1-2H3.
What are the key properties of 5-chloro-2-(cyclopropylmethyl)-4-(hexan-3-ylamino)pyridazin-3-one?
5-chloro-2-(cyclopropylmethyl)-4-(hexan-3-ylamino)pyridazin-3-one has a molecular weight of 283.80 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclopropylmethyl)-4-(hexan-3-ylamino)pyridazin-3-one is sourced from PubChem (CID 114436822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).