4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one

C12H17ClN4O — CID 115611041

IUPAC4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one
SMILESCn1ncc(NC2CCN(C3CC3)C2)c(Cl)c1=O
InChIInChI=1S/C12H17ClN4O/c1-16-12(18)11(13)10(6-14-16)15-8-4-5-17(7-8)9-2-3-9/h6,8-9,15H,2-5,7H2,1H3
InChIKeyOZWDDISEJPZWIX-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.08
Rot. Bonds3

About 4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one

4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one (PubChem CID 115611041) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one
PubChem CID115611041
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one
SMILESCn1ncc(NC2CCN(C3CC3)C2)c(Cl)c1=O
InChIInChI=1S/C12H17ClN4O/c1-16-12(18)11(13)10(6-14-16)15-8-4-5-17(7-8)9-2-3-9/h6,8-9,15H,2-5,7H2,1H3
InChIKeyOZWDDISEJPZWIX-UHFFFAOYSA-N
XLogP1.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one
CID 113222223
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4-chloro-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridazin-3-one
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4-chloro-5-(cyclopentylamino)-2-methylpyridazin-3-one
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4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one
CID 121476455
4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one
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4-chloro-5-[(1-ethylpiperidin-4-yl)amino]-2-methylpyridazin-3-one
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4-chloro-2-methyl-5-[(1-methylsulfonylpiperidin-3-yl)amino]pyridazin-3-one
CID 47406239
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CID 97055677
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CID 103704352
5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-methylpyridazin-3-one
CID 114417743
4-chloro-5-[(1,1-dioxothian-3-yl)amino]-2-methylpyridazin-3-one
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one (CID 115611041) is 4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one is Cn1ncc(NC2CCN(C3CC3)C2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one?
The InChIKey is OZWDDISEJPZWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-16-12(18)11(13)10(6-14-16)15-8-4-5-17(7-8)9-2-3-9/h6,8-9,15H,2-5,7H2,1H3.
What are the key properties of 4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one?
4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one has a molecular weight of 268.75 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 115611041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).