5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one

C14H22ClN3O — CID 114443243

IUPAC5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one
SMILESCC(C)(C)CCNc1c(Cl)cnn(CC2CC2)c1=O
InChIInChI=1S/C14H22ClN3O/c1-14(2,3)6-7-16-12-11(15)8-17-18(13(12)19)9-10-4-5-10/h8,10,16H,4-7,9H2,1-3H3
InChIKeyQKGRELWWUCTNKS-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.15
Rot. Bonds5

About 5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one

5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one (PubChem CID 114443243) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one
PubChem CID114443243
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one
SMILESCC(C)(C)CCNc1c(Cl)cnn(CC2CC2)c1=O
InChIInChI=1S/C14H22ClN3O/c1-14(2,3)6-7-16-12-11(15)8-17-18(13(12)19)9-10-4-5-10/h8,10,16H,4-7,9H2,1-3H3
InChIKeyQKGRELWWUCTNKS-UHFFFAOYSA-N
XLogP3.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(butylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114432144
5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one
CID 114432695
4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114444067
5-chloro-2-(cyclopropylmethyl)-4-(5,5,5-trifluoropentylamino)pyridazin-3-one
CID 114440834
5-chloro-2-(cyclopropylmethyl)-4-(2-propan-2-yloxyethylamino)pyridazin-3-one
CID 114441785
5-chloro-2-(cyclopropylmethyl)-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one
CID 114439992
5-chloro-2-(cyclobutylmethyl)-4-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one
CID 106430881
5-chloro-2-(cyclopropylmethyl)-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridazin-3-one
CID 107851419
5-chloro-2-(cyclopropylmethyl)-4-[(3-methylcyclopentyl)methylamino]pyridazin-3-one
CID 107413990
3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106278225
5-chloro-2-(cyclopropylmethyl)-4-(oxan-4-ylmethylamino)pyridazin-3-one
CID 114437978
4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114446799

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one (CID 114443243) is 5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one is CC(C)(C)CCNc1c(Cl)cnn(CC2CC2)c1=O.
What is the InChIKey of 5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one?
The InChIKey is QKGRELWWUCTNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-14(2,3)6-7-16-12-11(15)8-17-18(13(12)19)9-10-4-5-10/h8,10,16H,4-7,9H2,1-3H3.
What are the key properties of 5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one?
5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one has a molecular weight of 283.80 g/mol, XLogP of 3.15, 5 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-(3,3-dimethylbutylamino)pyridazin-3-one is sourced from PubChem (CID 114443243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).