5-chloro-4-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]-1H-pyridazin-6-one

C15H16ClN3O2 — CID 51103349

IUPAC5-chloro-4-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]-1H-pyridazin-6-one
SMILESCOc1ccccc1C1(CNc2cn[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C15H16ClN3O2/c1-21-12-5-3-2-4-10(12)15(6-7-15)9-17-11-8-18-19-14(20)13(11)16/h2-5,8H,6-7,9H2,1H3,(H2,17,19,20)
InChIKeyMESRFJBOHFYULW-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.58
Rot. Bonds5

About 5-chloro-4-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]-1H-pyridazin-6-one

5-chloro-4-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]-1H-pyridazin-6-one (PubChem CID 51103349) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 5-chloro-4-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]-1H-pyridazin-6-one
PubChem CID51103349
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name5-chloro-4-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]-1H-pyridazin-6-one
SMILESCOc1ccccc1C1(CNc2cn[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C15H16ClN3O2/c1-21-12-5-3-2-4-10(12)15(6-7-15)9-17-11-8-18-19-14(20)13(11)16/h2-5,8H,6-7,9H2,1H3,(H2,17,19,20)
InChIKeyMESRFJBOHFYULW-UHFFFAOYSA-N
XLogP2.58
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]-1H-pyridazin-6-one (CID 51103349) is 5-chloro-4-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]-1H-pyridazin-6-one is COc1ccccc1C1(CNc2cn[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 5-chloro-4-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]-1H-pyridazin-6-one?
The InChIKey is MESRFJBOHFYULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-21-12-5-3-2-4-10(12)15(6-7-15)9-17-11-8-18-19-14(20)13(11)16/h2-5,8H,6-7,9H2,1H3,(H2,17,19,20).
What are the key properties of 5-chloro-4-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]-1H-pyridazin-6-one?
5-chloro-4-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]-1H-pyridazin-6-one has a molecular weight of 305.77 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[1-(2-methoxyphenyl)cyclopropyl]methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 51103349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).