5-chloro-4-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-1H-pyridazin-6-one

C13H21ClN4O — CID 133417471

IUPAC5-chloro-4-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-1H-pyridazin-6-one
SMILESCC(C)CN1CCC[C@@H]1CNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C13H21ClN4O/c1-9(2)8-18-5-3-4-10(18)6-15-11-7-16-17-13(19)12(11)14/h7,9-10H,3-6,8H2,1-2H3,(H2,15,17,19)/t10-/m1/s1
InChIKeyDOJHBVDGVGQMRS-SNVBAGLBSA-N
MW284.79 g/mol
LogP1.96
Rot. Bonds5

About 5-chloro-4-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-1H-pyridazin-6-one

5-chloro-4-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-1H-pyridazin-6-one (PubChem CID 133417471) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-chloro-4-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-1H-pyridazin-6-one
PubChem CID133417471
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name5-chloro-4-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-1H-pyridazin-6-one
SMILESCC(C)CN1CCC[C@@H]1CNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C13H21ClN4O/c1-9(2)8-18-5-3-4-10(18)6-15-11-7-16-17-13(19)12(11)14/h7,9-10H,3-6,8H2,1-2H3,(H2,15,17,19)/t10-/m1/s1
InChIKeyDOJHBVDGVGQMRS-SNVBAGLBSA-N
XLogP1.96
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]-1H-pyridazin-6-one
CID 115576964
5-chloro-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyridazin-6-one
CID 78955295
5-chloro-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-1H-pyridazin-6-one
CID 134038847
4-chloro-5-[(1-ethylpyrrolidin-2-yl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114432598
5-chloro-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one
CID 79003228
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4,5-diamine
CID 82238130
5-chloro-4-(oxan-2-ylmethylamino)-1H-pyridazin-6-one
CID 47407222
6-chloro-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]pyridazine-4-carboxamide
CID 133417486
5-chloro-4-[[(3R)-oxan-3-yl]methylamino]-1H-pyridazin-6-one
CID 168962962
5-chloro-4-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methylamino]-1H-pyridazin-6-one
CID 94424877
5-chloro-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one
CID 78952462
5-chloro-4-(2,3,3-trimethylbutylamino)-1H-pyridazin-6-one
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-1H-pyridazin-6-one (CID 133417471) is 5-chloro-4-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-1H-pyridazin-6-one is CC(C)CN1CCC[C@@H]1CNc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-1H-pyridazin-6-one?
The InChIKey is DOJHBVDGVGQMRS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-9(2)8-18-5-3-4-10(18)6-15-11-7-16-17-13(19)12(11)14/h7,9-10H,3-6,8H2,1-2H3,(H2,15,17,19)/t10-/m1/s1.
What are the key properties of 5-chloro-4-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-1H-pyridazin-6-one?
5-chloro-4-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-1H-pyridazin-6-one has a molecular weight of 284.79 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 133417471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).