N-[(3R)-1-(3-amino-6-chloropyridazin-4-yl)pyrrolidin-3-yl]acetamide

C10H14ClN5O — CID 135217284

IUPACN-[(3R)-1-(3-amino-6-chloropyridazin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2cc(Cl)nnc2N)C1
InChIInChI=1S/C10H14ClN5O/c1-6(17)13-7-2-3-16(5-7)8-4-9(11)14-15-10(8)12/h4,7H,2-3,5H2,1H3,(H2,12,15)(H,13,17)/t7-/m1/s1
InChIKeyBRKPVMFDIAFXMX-SSDOTTSWSA-N
MW255.71 g/mol
LogP0.43
Rot. Bonds2

About N-[(3R)-1-(3-amino-6-chloropyridazin-4-yl)pyrrolidin-3-yl]acetamide

N-[(3R)-1-(3-amino-6-chloropyridazin-4-yl)pyrrolidin-3-yl]acetamide (PubChem CID 135217284) has the molecular formula C10H14ClN5O and a molecular weight of 255.71 g/mol. Its IUPAC name is N-[(3R)-1-(3-amino-6-chloropyridazin-4-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(3-amino-6-chloropyridazin-4-yl)pyrrolidin-3-yl]acetamide
PubChem CID135217284
Molecular FormulaC10H14ClN5O
Molecular Weight255.71 g/mol
Exact Mass255.09
IUPAC NameN-[(3R)-1-(3-amino-6-chloropyridazin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2cc(Cl)nnc2N)C1
InChIInChI=1S/C10H14ClN5O/c1-6(17)13-7-2-3-16(5-7)8-4-9(11)14-15-10(8)12/h4,7H,2-3,5H2,1H3,(H2,12,15)(H,13,17)/t7-/m1/s1
InChIKeyBRKPVMFDIAFXMX-SSDOTTSWSA-N
XLogP0.43
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(6-Chloropyridazin-3-yl)amino]propyl]pyrrolidin-2-one
CID 5771147
N-(6-amino-3-chloropyridazin-4-yl)acetamide
CID 6408818
2-[(6-chloropyridazin-3-yl)amino]-N,N-diethylacetamide
CID 104385814
6-Chloro-3-hydrazinyl-N-(propan-2-yl)pyridazin-4-amine
CID 21515375
N-butyl-6-chloro-3-hydrazinylpyridazin-4-amine
CID 21515389
6-Chloro-N4-methylpyridazine-3,4-diamine
CID 21816417
6-chloro-N-ethyl-3-(pentan-2-yldiazenyl)pyridazin-4-amine
CID 54312437
6-chloro-N-ethyl-3-(3-methylbut-3-en-2-yldiazenyl)pyridazin-4-amine
CID 57225057
6-chloro-N4-ethylpyridazine-3,4-diamine
CID 59176974
6-Chloro-4-(pyrrolidin-1-yl)pyridazin-3-amine
CID 90133866
3-chloro-7-methyl-5H-imidazo[4,5-c]pyridazin-6-one
CID 117272907
2-[(2R)-4-(3-amino-6-chloropyridazin-4-yl)-2-methylpiperazin-1-yl]-N-methylacetamide
CID 122507912

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3-amino-6-chloropyridazin-4-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-(3-amino-6-chloropyridazin-4-yl)pyrrolidin-3-yl]acetamide (CID 135217284) is N-[(3R)-1-(3-amino-6-chloropyridazin-4-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-(3-amino-6-chloropyridazin-4-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-(3-amino-6-chloropyridazin-4-yl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CCN(c2cc(Cl)nnc2N)C1.
What is the InChIKey of N-[(3R)-1-(3-amino-6-chloropyridazin-4-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is BRKPVMFDIAFXMX-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14ClN5O/c1-6(17)13-7-2-3-16(5-7)8-4-9(11)14-15-10(8)12/h4,7H,2-3,5H2,1H3,(H2,12,15)(H,13,17)/t7-/m1/s1.
What are the key properties of N-[(3R)-1-(3-amino-6-chloropyridazin-4-yl)pyrrolidin-3-yl]acetamide?
N-[(3R)-1-(3-amino-6-chloropyridazin-4-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 255.71 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3-amino-6-chloropyridazin-4-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 135217284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).