2-(1H-indazol-3-yl)-1,10-phenanthroline

C19H12N4 — CID 71243200

IUPAC2-(1H-indazol-3-yl)-1,10-phenanthroline
SMILESc1cnc2c(c1)ccc1ccc(-c3n[nH]c4ccccc34)nc12
InChIInChI=1S/C19H12N4/c1-2-6-15-14(5-1)19(23-22-15)16-10-9-13-8-7-12-4-3-11-20-17(12)18(13)21-16/h1-11H,(H,22,23)
InChIKeyPXTUBWLBCGDFSE-UHFFFAOYSA-N
MW296.33 g/mol
LogP4.33
Rot. Bonds1

About 2-(1H-indazol-3-yl)-1,10-phenanthroline

2-(1H-indazol-3-yl)-1,10-phenanthroline (PubChem CID 71243200) has the molecular formula C19H12N4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(1H-indazol-3-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(1H-indazol-3-yl)-1,10-phenanthroline
PubChem CID71243200
Molecular FormulaC19H12N4
Molecular Weight296.33 g/mol
Exact Mass296.11
IUPAC Name2-(1H-indazol-3-yl)-1,10-phenanthroline
SMILESc1cnc2c(c1)ccc1ccc(-c3n[nH]c4ccccc34)nc12
InChIInChI=1S/C19H12N4/c1-2-6-15-14(5-1)19(23-22-15)16-10-9-13-8-7-12-4-3-11-20-17(12)18(13)21-16/h1-11H,(H,22,23)
InChIKeyPXTUBWLBCGDFSE-UHFFFAOYSA-N
XLogP4.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(1H-indazol-3-yl)-1,10-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline
CID 134167279
CID 58385596
CID 58385596
2-(4-isoquinolin-1-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 118885832
2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline
CID 118861987
2-[5-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 145221325
4-quinolin-8-yl-2H-phthalazine-1-thione
CID 106519692
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
CID 121460952
2-[4-(4-bromophenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 164519373
1,10-phenanthroline;samarium
CID 174616745
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
europium;1,10-phenanthroline
CID 20606755
osmium;tris(1,10-phenanthroline)
CID 14251798

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-3-yl)-1,10-phenanthroline?
The IUPAC name of 2-(1H-indazol-3-yl)-1,10-phenanthroline (CID 71243200) is 2-(1H-indazol-3-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-(1H-indazol-3-yl)-1,10-phenanthroline?
The canonical SMILES for 2-(1H-indazol-3-yl)-1,10-phenanthroline is c1cnc2c(c1)ccc1ccc(-c3n[nH]c4ccccc34)nc12.
What is the InChIKey of 2-(1H-indazol-3-yl)-1,10-phenanthroline?
The InChIKey is PXTUBWLBCGDFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4/c1-2-6-15-14(5-1)19(23-22-15)16-10-9-13-8-7-12-4-3-11-20-17(12)18(13)21-16/h1-11H,(H,22,23).
What are the key properties of 2-(1H-indazol-3-yl)-1,10-phenanthroline?
2-(1H-indazol-3-yl)-1,10-phenanthroline has a molecular weight of 296.33 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-3-yl)-1,10-phenanthroline is sourced from PubChem (CID 71243200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).