5-chloro-2-(cyclopropylmethyl)-4-[(4-hydroxyphenyl)methylamino]pyridazin-3-one

C15H16ClN3O2 — CID 114443484

IUPAC5-chloro-2-(cyclopropylmethyl)-4-[(4-hydroxyphenyl)methylamino]pyridazin-3-one
SMILESO=c1c(NCc2ccc(O)cc2)c(Cl)cnn1CC1CC1
InChIInChI=1S/C15H16ClN3O2/c16-13-8-18-19(9-11-1-2-11)15(21)14(13)17-7-10-3-5-12(20)6-4-10/h3-6,8,11,17,20H,1-2,7,9H2
InChIKeySHRVLICPJDKPHO-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.62
Rot. Bonds5

About 5-chloro-2-(cyclopropylmethyl)-4-[(4-hydroxyphenyl)methylamino]pyridazin-3-one

5-chloro-2-(cyclopropylmethyl)-4-[(4-hydroxyphenyl)methylamino]pyridazin-3-one (PubChem CID 114443484) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 5-chloro-2-(cyclopropylmethyl)-4-[(4-hydroxyphenyl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclopropylmethyl)-4-[(4-hydroxyphenyl)methylamino]pyridazin-3-one
PubChem CID114443484
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name5-chloro-2-(cyclopropylmethyl)-4-[(4-hydroxyphenyl)methylamino]pyridazin-3-one
SMILESO=c1c(NCc2ccc(O)cc2)c(Cl)cnn1CC1CC1
InChIInChI=1S/C15H16ClN3O2/c16-13-8-18-19(9-11-1-2-11)15(21)14(13)17-7-10-3-5-12(20)6-4-10/h3-6,8,11,17,20H,1-2,7,9H2
InChIKeySHRVLICPJDKPHO-UHFFFAOYSA-N
XLogP2.62
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(cyclopropylmethyl)-4-(1H-pyrazol-4-ylmethylamino)pyridazin-3-one
CID 114434219
5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one
CID 114432695
5-chloro-2-(cyclopropylmethyl)-4-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
CID 114436443
4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114444067
5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one
CID 114440942
5-chloro-2-(cyclopropylmethyl)-4-[(3-methyl-2-pyridinyl)methylamino]pyridazin-3-one
CID 114437860
4-(butylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114432144
5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443243
5-chloro-2-(cyclopropylmethyl)-4-(oxan-4-ylmethylamino)pyridazin-3-one
CID 114437978
5-chloro-2-(cyclopropylmethyl)-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one
CID 114439992
3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-2-hydroxypropanamide
CID 106177775
5-chloro-2-(cyclopropylmethyl)-4-(5,5,5-trifluoropentylamino)pyridazin-3-one
CID 114440834

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-[(4-hydroxyphenyl)methylamino]pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-[(4-hydroxyphenyl)methylamino]pyridazin-3-one (CID 114443484) is 5-chloro-2-(cyclopropylmethyl)-4-[(4-hydroxyphenyl)methylamino]pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclopropylmethyl)-4-[(4-hydroxyphenyl)methylamino]pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclopropylmethyl)-4-[(4-hydroxyphenyl)methylamino]pyridazin-3-one is O=c1c(NCc2ccc(O)cc2)c(Cl)cnn1CC1CC1.
What is the InChIKey of 5-chloro-2-(cyclopropylmethyl)-4-[(4-hydroxyphenyl)methylamino]pyridazin-3-one?
The InChIKey is SHRVLICPJDKPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-13-8-18-19(9-11-1-2-11)15(21)14(13)17-7-10-3-5-12(20)6-4-10/h3-6,8,11,17,20H,1-2,7,9H2.
What are the key properties of 5-chloro-2-(cyclopropylmethyl)-4-[(4-hydroxyphenyl)methylamino]pyridazin-3-one?
5-chloro-2-(cyclopropylmethyl)-4-[(4-hydroxyphenyl)methylamino]pyridazin-3-one has a molecular weight of 305.76 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclopropylmethyl)-4-[(4-hydroxyphenyl)methylamino]pyridazin-3-one is sourced from PubChem (CID 114443484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).