5-chloro-2-(cyclopropylmethyl)-4-(1-pyridin-2-ylethylamino)pyridazin-3-one

C15H17ClN4O — CID 114433303

IUPAC5-chloro-2-(cyclopropylmethyl)-4-(1-pyridin-2-ylethylamino)pyridazin-3-one
SMILESCC(Nc1c(Cl)cnn(CC2CC2)c1=O)c1ccccn1
InChIInChI=1S/C15H17ClN4O/c1-10(13-4-2-3-7-17-13)19-14-12(16)8-18-20(15(14)21)9-11-5-6-11/h2-4,7-8,10-11,19H,5-6,9H2,1H3
InChIKeyDTVUDVCNHGGWFD-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.87
Rot. Bonds5

About 5-chloro-2-(cyclopropylmethyl)-4-(1-pyridin-2-ylethylamino)pyridazin-3-one

5-chloro-2-(cyclopropylmethyl)-4-(1-pyridin-2-ylethylamino)pyridazin-3-one (PubChem CID 114433303) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-chloro-2-(cyclopropylmethyl)-4-(1-pyridin-2-ylethylamino)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclopropylmethyl)-4-(1-pyridin-2-ylethylamino)pyridazin-3-one
PubChem CID114433303
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name5-chloro-2-(cyclopropylmethyl)-4-(1-pyridin-2-ylethylamino)pyridazin-3-one
SMILESCC(Nc1c(Cl)cnn(CC2CC2)c1=O)c1ccccn1
InChIInChI=1S/C15H17ClN4O/c1-10(13-4-2-3-7-17-13)19-14-12(16)8-18-20(15(14)21)9-11-5-6-11/h2-4,7-8,10-11,19H,5-6,9H2,1H3
InChIKeyDTVUDVCNHGGWFD-UHFFFAOYSA-N
XLogP2.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-(1-pyridin-2-ylethylamino)pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-(1-pyridin-2-ylethylamino)pyridazin-3-one (CID 114433303) is 5-chloro-2-(cyclopropylmethyl)-4-(1-pyridin-2-ylethylamino)pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclopropylmethyl)-4-(1-pyridin-2-ylethylamino)pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclopropylmethyl)-4-(1-pyridin-2-ylethylamino)pyridazin-3-one is CC(Nc1c(Cl)cnn(CC2CC2)c1=O)c1ccccn1.
What is the InChIKey of 5-chloro-2-(cyclopropylmethyl)-4-(1-pyridin-2-ylethylamino)pyridazin-3-one?
The InChIKey is DTVUDVCNHGGWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-10(13-4-2-3-7-17-13)19-14-12(16)8-18-20(15(14)21)9-11-5-6-11/h2-4,7-8,10-11,19H,5-6,9H2,1H3.
What are the key properties of 5-chloro-2-(cyclopropylmethyl)-4-(1-pyridin-2-ylethylamino)pyridazin-3-one?
5-chloro-2-(cyclopropylmethyl)-4-(1-pyridin-2-ylethylamino)pyridazin-3-one has a molecular weight of 304.78 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclopropylmethyl)-4-(1-pyridin-2-ylethylamino)pyridazin-3-one is sourced from PubChem (CID 114433303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).