2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol

C16H12N4O — CID 156562186

IUPAC2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol
SMILESNc1nnc(-c2ccccc2O)c2[nH]c3ccccc3c12
InChIInChI=1S/C16H12N4O/c17-16-13-9-5-1-3-7-11(9)18-15(13)14(19-20-16)10-6-2-4-8-12(10)21/h1-8,18,21H,(H2,17,20)
InChIKeyAINWTFKYNIXGCU-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.07
Rot. Bonds1

About 2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol

2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol (PubChem CID 156562186) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol.

Molecular Properties

Compound Name2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol
PubChem CID156562186
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol
SMILESNc1nnc(-c2ccccc2O)c2[nH]c3ccccc3c12
InChIInChI=1S/C16H12N4O/c17-16-13-9-5-1-3-7-11(9)18-15(13)14(19-20-16)10-6-2-4-8-12(10)21/h1-8,18,21H,(H2,17,20)
InChIKeyAINWTFKYNIXGCU-UHFFFAOYSA-N
XLogP3.07
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7H-indolo[2,3-c]quinolin-6-yl)phenol
CID 135931779
2-(1-amino-3-methyl-9H-carbazol-4-yl)phenol
CID 174504107
2-[14-(2-hydroxyphenyl)-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-11-yl]phenol
CID 135879769
3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 102175677
3-phenyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaen-18-amine
CID 164733943
3,12,14,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-13-one
CID 10638837
4-phenyl-2,5-dihydropyridazino[4,5-b]indole-1-thione
CID 135541581
5H-pyridazino[4,5-b]indole-1,4-dicarboxylic acid
CID 91128673
2-[12-(2-cyanophenyl)-5,11-dihydroindolo[3,2-b]carbazol-6-yl]benzonitrile
CID 155081196
1,2-dimethyl-9H-carbazol-4-ol
CID 91664822
1-(4-chlorophenyl)-5H-pyrido[4,3-b]indol-4-ol
CID 11044625
3-(9H-carbazol-1-yl)aniline
CID 67501137

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol?
The IUPAC name of 2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol (CID 156562186) is 2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol.
What is the SMILES notation for 2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol?
The canonical SMILES for 2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol is Nc1nnc(-c2ccccc2O)c2[nH]c3ccccc3c12.
What is the InChIKey of 2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol?
The InChIKey is AINWTFKYNIXGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c17-16-13-9-5-1-3-7-11(9)18-15(13)14(19-20-16)10-6-2-4-8-12(10)21/h1-8,18,21H,(H2,17,20).
What are the key properties of 2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol?
2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol has a molecular weight of 276.30 g/mol, XLogP of 3.07, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-5H-pyridazino[4,5-b]indol-4-yl)phenol is sourced from PubChem (CID 156562186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).