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

C15H17ClN4O — CID 114437860

IUPAC5-chloro-2-(cyclopropylmethyl)-4-[(3-methyl-2-pyridinyl)methylamino]pyridazin-3-one
SMILESCc1cccnc1CNc1c(Cl)cnn(CC2CC2)c1=O
InChIInChI=1S/C15H17ClN4O/c1-10-3-2-6-17-13(10)8-18-14-12(16)7-19-20(15(14)21)9-11-4-5-11/h2-3,6-7,11,18H,4-5,8-9H2,1H3
InChIKeyLKEKDIRPOQBJHY-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.62
Rot. Bonds5

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

5-chloro-2-(cyclopropylmethyl)-4-[(3-methyl-2-pyridinyl)methylamino]pyridazin-3-one (PubChem CID 114437860) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-chloro-2-(cyclopropylmethyl)-4-[(3-methyl-2-pyridinyl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclopropylmethyl)-4-[(3-methyl-2-pyridinyl)methylamino]pyridazin-3-one
PubChem CID114437860
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name5-chloro-2-(cyclopropylmethyl)-4-[(3-methyl-2-pyridinyl)methylamino]pyridazin-3-one
SMILESCc1cccnc1CNc1c(Cl)cnn(CC2CC2)c1=O
InChIInChI=1S/C15H17ClN4O/c1-10-3-2-6-17-13(10)8-18-14-12(16)7-19-20(15(14)21)9-11-4-5-11/h2-3,6-7,11,18H,4-5,8-9H2,1H3
InChIKeyLKEKDIRPOQBJHY-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(cyclopropylmethyl)-4-[(4-hydroxyphenyl)methylamino]pyridazin-3-one
CID 114443484
5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one
CID 114440942
4-(butylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114432144
5-chloro-2-(cyclopropylmethyl)-4-(1-pyridin-2-ylethylamino)pyridazin-3-one
CID 114433303
5-chloro-2-(cyclopropylmethyl)-4-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
CID 114436443
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-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one
CID 114439992
5-chloro-2-(cyclopropylmethyl)-4-(1H-pyrazol-4-ylmethylamino)pyridazin-3-one
CID 114434219
5-chloro-2-(cyclobutylmethyl)-4-(thiophen-2-ylmethylamino)pyridazin-3-one
CID 114432959
5-chloro-2-(cyclopropylmethyl)-4-[(3-methylcyclopentyl)methylamino]pyridazin-3-one
CID 107413990
5-chloro-4-[(3-ethyl-2-pyridinyl)methylamino]-2-prop-2-ynylpyridazin-3-one
CID 114440937

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-[(3-methyl-2-pyridinyl)methylamino]pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-[(3-methyl-2-pyridinyl)methylamino]pyridazin-3-one (CID 114437860) is 5-chloro-2-(cyclopropylmethyl)-4-[(3-methyl-2-pyridinyl)methylamino]pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclopropylmethyl)-4-[(3-methyl-2-pyridinyl)methylamino]pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclopropylmethyl)-4-[(3-methyl-2-pyridinyl)methylamino]pyridazin-3-one is Cc1cccnc1CNc1c(Cl)cnn(CC2CC2)c1=O.
What is the InChIKey of 5-chloro-2-(cyclopropylmethyl)-4-[(3-methyl-2-pyridinyl)methylamino]pyridazin-3-one?
The InChIKey is LKEKDIRPOQBJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-10-3-2-6-17-13(10)8-18-14-12(16)7-19-20(15(14)21)9-11-4-5-11/h2-3,6-7,11,18H,4-5,8-9H2,1H3.
What are the key properties of 5-chloro-2-(cyclopropylmethyl)-4-[(3-methyl-2-pyridinyl)methylamino]pyridazin-3-one?
5-chloro-2-(cyclopropylmethyl)-4-[(3-methyl-2-pyridinyl)methylamino]pyridazin-3-one has a molecular weight of 304.78 g/mol, XLogP of 2.62, 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-[(3-methyl-2-pyridinyl)methylamino]pyridazin-3-one is sourced from PubChem (CID 114437860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).