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

C14H21ClN4O — CID 114443861

IUPAC5-chloro-2-(cyclopropylmethyl)-4-[3-(methylamino)piperidin-1-yl]pyridazin-3-one
SMILESCNC1CCCN(c2c(Cl)cnn(CC3CC3)c2=O)C1
InChIInChI=1S/C14H21ClN4O/c1-16-11-3-2-6-18(9-11)13-12(15)7-17-19(14(13)20)8-10-4-5-10/h7,10-11,16H,2-6,8-9H2,1H3
InChIKeyREIINFCZFJXCBR-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.49
Rot. Bonds4

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

5-chloro-2-(cyclopropylmethyl)-4-[3-(methylamino)piperidin-1-yl]pyridazin-3-one (PubChem CID 114443861) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-chloro-2-(cyclopropylmethyl)-4-[3-(methylamino)piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclopropylmethyl)-4-[3-(methylamino)piperidin-1-yl]pyridazin-3-one
PubChem CID114443861
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name5-chloro-2-(cyclopropylmethyl)-4-[3-(methylamino)piperidin-1-yl]pyridazin-3-one
SMILESCNC1CCCN(c2c(Cl)cnn(CC3CC3)c2=O)C1
InChIInChI=1S/C14H21ClN4O/c1-16-11-3-2-6-18(9-11)13-12(15)7-17-19(14(13)20)8-10-4-5-10/h7,10-11,16H,2-6,8-9H2,1H3
InChIKeyREIINFCZFJXCBR-UHFFFAOYSA-N
XLogP1.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(aminomethyl)piperidin-1-yl]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114444352
5-chloro-2-(cyclopropylmethyl)-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridazin-3-one
CID 107851419
5-chloro-4-(1-cyclopentylethylamino)-2-(cyclopropylmethyl)pyridazin-3-one
CID 114438447
4-[(4-aminocyclohexyl)amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114446204
5-chloro-2-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one
CID 114440605
5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one
CID 114436255
5-chloro-4-(1-cyclobutylethylamino)-2-(cyclobutylmethyl)pyridazin-3-one
CID 114443043
5-chloro-2-(cyclobutylmethyl)-4-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one
CID 114438346
5-chloro-2-(cyclopropylmethyl)-4-[(4-hydroxyphenyl)methylamino]pyridazin-3-one
CID 114443484
5-chloro-2-(cyclopropylmethyl)-4-(hexan-3-ylamino)pyridazin-3-one
CID 114436822
5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443243
4-(butylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114432144

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-[3-(methylamino)piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-[3-(methylamino)piperidin-1-yl]pyridazin-3-one (CID 114443861) is 5-chloro-2-(cyclopropylmethyl)-4-[3-(methylamino)piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclopropylmethyl)-4-[3-(methylamino)piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclopropylmethyl)-4-[3-(methylamino)piperidin-1-yl]pyridazin-3-one is CNC1CCCN(c2c(Cl)cnn(CC3CC3)c2=O)C1.
What is the InChIKey of 5-chloro-2-(cyclopropylmethyl)-4-[3-(methylamino)piperidin-1-yl]pyridazin-3-one?
The InChIKey is REIINFCZFJXCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-16-11-3-2-6-18(9-11)13-12(15)7-17-19(14(13)20)8-10-4-5-10/h7,10-11,16H,2-6,8-9H2,1H3.
What are the key properties of 5-chloro-2-(cyclopropylmethyl)-4-[3-(methylamino)piperidin-1-yl]pyridazin-3-one?
5-chloro-2-(cyclopropylmethyl)-4-[3-(methylamino)piperidin-1-yl]pyridazin-3-one has a molecular weight of 296.80 g/mol, XLogP of 1.49, 4 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-(methylamino)piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 114443861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).