5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one

C13H16ClN5O — CID 114440942

IUPAC5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one
SMILESCn1ccc(CNc2c(Cl)cnn(CC3CC3)c2=O)n1
InChIInChI=1S/C13H16ClN5O/c1-18-5-4-10(17-18)6-15-12-11(14)7-16-19(13(12)20)8-9-2-3-9/h4-5,7,9,15H,2-3,6,8H2,1H3
InChIKeyLJYADHPRZIGMHF-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.65
Rot. Bonds5

About 5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one

5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one (PubChem CID 114440942) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one
PubChem CID114440942
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one
SMILESCn1ccc(CNc2c(Cl)cnn(CC3CC3)c2=O)n1
InChIInChI=1S/C13H16ClN5O/c1-18-5-4-10(17-18)6-15-12-11(14)7-16-19(13(12)20)8-9-2-3-9/h4-5,7,9,15H,2-3,6,8H2,1H3
InChIKeyLJYADHPRZIGMHF-UHFFFAOYSA-N
XLogP1.65
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-(cyclobutylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one
CID 114440953
5-chloro-2-(cyclopropylmethyl)-4-[(4-hydroxyphenyl)methylamino]pyridazin-3-one
CID 114443484
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-[(3-methyl-2-pyridinyl)methylamino]pyridazin-3-one
CID 114437860
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-(cyclopropylmethyl)-4-[(3-methylcyclopentyl)methylamino]pyridazin-3-one
CID 107413990
5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one
CID 114436255
5-chloro-2-(cyclopropylmethyl)-4-(oxan-4-ylmethylamino)pyridazin-3-one
CID 114437978
5-chloro-2-(cyclopropylmethyl)-4-[2-(triazol-1-yl)ethylamino]pyridazin-3-one
CID 114441727

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one (CID 114440942) is 5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one is Cn1ccc(CNc2c(Cl)cnn(CC3CC3)c2=O)n1.
What is the InChIKey of 5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one?
The InChIKey is LJYADHPRZIGMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-18-5-4-10(17-18)6-15-12-11(14)7-16-19(13(12)20)8-9-2-3-9/h4-5,7,9,15H,2-3,6,8H2,1H3.
What are the key properties of 5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one?
5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one has a molecular weight of 293.76 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 114440942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).