(2S)-1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid

C10H13ClN4O2 — CID 97166514

IUPAC(2S)-1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CNCCN1Cc1ccc(Cl)nn1
InChIInChI=1S/C10H13ClN4O2/c11-9-2-1-7(13-14-9)6-15-4-3-12-5-8(15)10(16)17/h1-2,8,12H,3-6H2,(H,16,17)/t8-/m0/s1
InChIKeyAUKIILFVYKRNCC-QMMMGPOBSA-N
MW256.69 g/mol
LogP-0.01
Rot. Bonds3

About (2S)-1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid

(2S)-1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid (PubChem CID 97166514) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is (2S)-1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid
PubChem CID97166514
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name(2S)-1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CNCCN1Cc1ccc(Cl)nn1
InChIInChI=1S/C10H13ClN4O2/c11-9-2-1-7(13-14-9)6-15-4-3-12-5-8(15)10(16)17/h1-2,8,12H,3-6H2,(H,16,17)/t8-/m0/s1
InChIKeyAUKIILFVYKRNCC-QMMMGPOBSA-N
XLogP-0.01
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid
CID 71646339
(2R)-1-[(4-fluorophenyl)methyl]piperazine-2-carboxylic acid
CID 86329900
1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperazine-2-carboxylic acid
CID 80663815
4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide
CID 104513819
1-[(3-chlorophenyl)methyl]piperazine-2-carboxylic acid;hydrochloride
CID 156595749
3-chloro-6-(piperazin-1-ylmethyl)pyridazine;hydrochloride
CID 71639868
1-[(3-chloro-2-fluorophenyl)methyl]piperazine-2-carboxylic acid
CID 114488257
1-[(6-chloropyridazin-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 104513621
(3S)-4-[(6-chloropyridazin-3-yl)methyl]-3-ethylpiperazin-2-one
CID 129395126
1-[(5-chloro-2-nitrophenyl)methyl]piperazine-2-carboxylic acid
CID 79580067
1-[(6-methyl-2-pyridinyl)methyl]piperazine-2-carboxamide
CID 79261566
methyl 1-benzylpiperazine-2-carboxylate
CID 22721935

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid (CID 97166514) is (2S)-1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid is O=C(O)[C@@H]1CNCCN1Cc1ccc(Cl)nn1.
What is the InChIKey of (2S)-1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid?
The InChIKey is AUKIILFVYKRNCC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c11-9-2-1-7(13-14-9)6-15-4-3-12-5-8(15)10(16)17/h1-2,8,12H,3-6H2,(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid?
(2S)-1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid has a molecular weight of 256.69 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 97166514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).