(3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-amine

C9H13ClN4 — CID 71643836

IUPAC(3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(Cc2ccc(Cl)nn2)C1
InChIInChI=1S/C9H13ClN4/c10-9-2-1-8(12-13-9)6-14-4-3-7(11)5-14/h1-2,7H,3-6,11H2/t7-/m1/s1
InChIKeyASZYVMPCHRAYDC-SSDOTTSWSA-N
MW212.68 g/mol
LogP0.66
Rot. Bonds2

About (3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-amine

(3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 71643836) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is (3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-amine
PubChem CID71643836
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name(3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(Cc2ccc(Cl)nn2)C1
InChIInChI=1S/C9H13ClN4/c10-9-2-1-8(12-13-9)6-14-4-3-7(11)5-14/h1-2,7H,3-6,11H2/t7-/m1/s1
InChIKeyASZYVMPCHRAYDC-SSDOTTSWSA-N
XLogP0.66
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-chloropyridazin-3-yl)methyl]-4-methylpiperidin-3-ol
CID 102956998
3-chloro-6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]pyridazine
CID 102957006
3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine
CID 97163264
(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-amine
CID 94889758
(3R)-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrrolidin-3-amine
CID 106994957
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703
4-[(6-chloropyridazin-3-yl)methyl]morpholine
CID 104513452
3-chloro-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine
CID 130546911
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802
1-[(3-methyl-1,2,4-triazin-5-yl)methyl]pyrrolidin-3-amine
CID 82401796
(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine
CID 68962287
4-[(6-chloropyridazin-3-yl)methyl]-2-ethylmorpholine
CID 104513534

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-amine (CID 71643836) is (3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-amine is N[C@@H]1CCN(Cc2ccc(Cl)nn2)C1.
What is the InChIKey of (3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is ASZYVMPCHRAYDC-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13ClN4/c10-9-2-1-8(12-13-9)6-14-4-3-7(11)5-14/h1-2,7H,3-6,11H2/t7-/m1/s1.
What are the key properties of (3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-amine?
(3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 212.68 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 71643836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).