2-pyridazin-3-yl-2-pyridin-2-ylpiperazine-1-carboxylic acid

C14H15N5O2 — CID 68975625

IUPAC2-pyridazin-3-yl-2-pyridin-2-ylpiperazine-1-carboxylic acid
SMILESO=C(O)N1CCNCC1(c1ccccn1)c1cccnn1
InChIInChI=1S/C14H15N5O2/c20-13(21)19-9-8-15-10-14(19,11-4-1-2-6-16-11)12-5-3-7-17-18-12/h1-7,15H,8-10H2,(H,20,21)
InChIKeyGLRYSBSQIZVQJG-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.70
Rot. Bonds2

About 2-pyridazin-3-yl-2-pyridin-2-ylpiperazine-1-carboxylic acid

2-pyridazin-3-yl-2-pyridin-2-ylpiperazine-1-carboxylic acid (PubChem CID 68975625) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-pyridazin-3-yl-2-pyridin-2-ylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-pyridazin-3-yl-2-pyridin-2-ylpiperazine-1-carboxylic acid
PubChem CID68975625
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-pyridazin-3-yl-2-pyridin-2-ylpiperazine-1-carboxylic acid
SMILESO=C(O)N1CCNCC1(c1ccccn1)c1cccnn1
InChIInChI=1S/C14H15N5O2/c20-13(21)19-9-8-15-10-14(19,11-4-1-2-6-16-11)12-5-3-7-17-18-12/h1-7,15H,8-10H2,(H,20,21)
InChIKeyGLRYSBSQIZVQJG-UHFFFAOYSA-N
XLogP0.70
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dipyridin-2-ylpiperazine-1-carboxamide
CID 175910325
1-(2,2-dimethylpiperazin-1-yl)-3-pyridin-2-ylpropan-1-one
CID 81483874
2-[1-[1-(4-hydroxyphenyl)-1-oxobutan-2-yl]-5-oxo-1,2,4-triazol-4-yl]-2-pyridin-2-ylpiperazine-1-carboxylic acid
CID 67675165
[(3R)-3-pyridin-2-ylpyrrolidin-3-yl]methanol
CID 125041634
1-(1,4-diazaspiro[5.5]undecan-1-yl)-3-pyridin-2-ylpropan-1-one
CID 114289996
2-[3-(trifluoromethyl)pyrrolidin-3-yl]oxypyridine-3-carboxylic acid
CID 117096529
(3-bromo-2-pyridinyl)-(1,4-diazaspiro[5.5]undecan-1-yl)methanone
CID 107520090
3-pyridazin-3-yloxetane-3-carboxylic acid
CID 82409220
piperazin-1-yl pyridine-2-carboxylate;dihydrochloride
CID 177001655
(2S)-2-tert-butyl-2-methylpiperazine-1-carboxylic acid
CID 23568516
2-pyridin-2-yl-2-(2H-pyridin-1-yl)azepane-1-carboxylic acid
CID 90030205
2-[3-(pyridazin-3-ylmethylamino)azetidin-3-yl]acetic acid
CID 107143252

Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-3-yl-2-pyridin-2-ylpiperazine-1-carboxylic acid?
The IUPAC name of 2-pyridazin-3-yl-2-pyridin-2-ylpiperazine-1-carboxylic acid (CID 68975625) is 2-pyridazin-3-yl-2-pyridin-2-ylpiperazine-1-carboxylic acid.
What is the SMILES notation for 2-pyridazin-3-yl-2-pyridin-2-ylpiperazine-1-carboxylic acid?
The canonical SMILES for 2-pyridazin-3-yl-2-pyridin-2-ylpiperazine-1-carboxylic acid is O=C(O)N1CCNCC1(c1ccccn1)c1cccnn1.
What is the InChIKey of 2-pyridazin-3-yl-2-pyridin-2-ylpiperazine-1-carboxylic acid?
The InChIKey is GLRYSBSQIZVQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c20-13(21)19-9-8-15-10-14(19,11-4-1-2-6-16-11)12-5-3-7-17-18-12/h1-7,15H,8-10H2,(H,20,21).
What are the key properties of 2-pyridazin-3-yl-2-pyridin-2-ylpiperazine-1-carboxylic acid?
2-pyridazin-3-yl-2-pyridin-2-ylpiperazine-1-carboxylic acid has a molecular weight of 285.31 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-3-yl-2-pyridin-2-ylpiperazine-1-carboxylic acid is sourced from PubChem (CID 68975625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).