1-(1H-pyrazol-5-yl)-5H-pyridazino[4,5-b]indole

C13H9N5 — CID 140617726

IUPAC1-(1H-pyrazol-5-yl)-5H-pyridazino[4,5-b]indole
SMILESc1ccc2c(c1)[nH]c1cnnc(-c3ccn[nH]3)c12
InChIInChI=1S/C13H9N5/c1-2-4-9-8(3-1)12-11(16-9)7-15-18-13(12)10-5-6-14-17-10/h1-7,16H,(H,14,17)
InChIKeyVQIUXIKLXVIMKO-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.50
Rot. Bonds1

About 1-(1H-pyrazol-5-yl)-5H-pyridazino[4,5-b]indole

1-(1H-pyrazol-5-yl)-5H-pyridazino[4,5-b]indole (PubChem CID 140617726) has the molecular formula C13H9N5 and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)-5H-pyridazino[4,5-b]indole.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)-5H-pyridazino[4,5-b]indole
PubChem CID140617726
Molecular FormulaC13H9N5
Molecular Weight235.25 g/mol
Exact Mass235.09
IUPAC Name1-(1H-pyrazol-5-yl)-5H-pyridazino[4,5-b]indole
SMILESc1ccc2c(c1)[nH]c1cnnc(-c3ccn[nH]3)c12
InChIInChI=1S/C13H9N5/c1-2-4-9-8(3-1)12-11(16-9)7-15-18-13(12)10-5-6-14-17-10/h1-7,16H,(H,14,17)
InChIKeyVQIUXIKLXVIMKO-UHFFFAOYSA-N
XLogP2.50
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-5H-pyridazino[4,5-b]indole
CID 82396781
9H-carbazole
CID 66668984
2,5-dihydropyridazino[4,5-b]quinoline-1,10-dione
CID 22321575
6H-azepino[4,3-b]indol-1-one
CID 150838998
5-methyl-7H-pyrido[2,3-c]carbazole
CID 10331503
bis(9H-carbazole);platinum(2+)
CID 175826437
9H-carbazole;copper
CID 159878189
2-[2-(1H-pyrazol-5-yl)-1H-indol-3-yl]-1,3-thiazole
CID 137228711
8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 151112967
6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione
CID 51038700
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)-5H-pyridazino[4,5-b]indole?
The IUPAC name of 1-(1H-pyrazol-5-yl)-5H-pyridazino[4,5-b]indole (CID 140617726) is 1-(1H-pyrazol-5-yl)-5H-pyridazino[4,5-b]indole.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)-5H-pyridazino[4,5-b]indole?
The canonical SMILES for 1-(1H-pyrazol-5-yl)-5H-pyridazino[4,5-b]indole is c1ccc2c(c1)[nH]c1cnnc(-c3ccn[nH]3)c12.
What is the InChIKey of 1-(1H-pyrazol-5-yl)-5H-pyridazino[4,5-b]indole?
The InChIKey is VQIUXIKLXVIMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5/c1-2-4-9-8(3-1)12-11(16-9)7-15-18-13(12)10-5-6-14-17-10/h1-7,16H,(H,14,17).
What are the key properties of 1-(1H-pyrazol-5-yl)-5H-pyridazino[4,5-b]indole?
1-(1H-pyrazol-5-yl)-5H-pyridazino[4,5-b]indole has a molecular weight of 235.25 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)-5H-pyridazino[4,5-b]indole is sourced from PubChem (CID 140617726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).