3H-naphtho[2,3-e]indazole

C15H10N2 — CID 57355763

IUPAC3H-naphtho[2,3-e]indazole
SMILESc1ccc2cc3c(ccc4[nH]ncc43)cc2c1
InChIInChI=1S/C15H10N2/c1-2-4-11-8-13-12(7-10(11)3-1)5-6-15-14(13)9-16-17-15/h1-9H,(H,16,17)
InChIKeyBTQAFTBKHVLPEV-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.87
Rot. Bonds

About 3H-naphtho[2,3-e]indazole

3H-naphtho[2,3-e]indazole (PubChem CID 57355763) has the molecular formula C15H10N2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3H-naphtho[2,3-e]indazole.

Molecular Properties

Compound Name3H-naphtho[2,3-e]indazole
PubChem CID57355763
Molecular FormulaC15H10N2
Molecular Weight218.26 g/mol
Exact Mass218.08
IUPAC Name3H-naphtho[2,3-e]indazole
SMILESc1ccc2cc3c(ccc4[nH]ncc43)cc2c1
InChIInChI=1S/C15H10N2/c1-2-4-11-8-13-12(7-10(11)3-1)5-6-15-14(13)9-16-17-15/h1-9H,(H,16,17)
InChIKeyBTQAFTBKHVLPEV-UHFFFAOYSA-N
XLogP3.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3H-naphtho[2,3-e]indazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3H-naphtho[2,3-e]indazole?
The IUPAC name of 3H-naphtho[2,3-e]indazole (CID 57355763) is 3H-naphtho[2,3-e]indazole.
What is the SMILES notation for 3H-naphtho[2,3-e]indazole?
The canonical SMILES for 3H-naphtho[2,3-e]indazole is c1ccc2cc3c(ccc4[nH]ncc43)cc2c1.
What is the InChIKey of 3H-naphtho[2,3-e]indazole?
The InChIKey is BTQAFTBKHVLPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2/c1-2-4-11-8-13-12(7-10(11)3-1)5-6-15-14(13)9-16-17-15/h1-9H,(H,16,17).
What are the key properties of 3H-naphtho[2,3-e]indazole?
3H-naphtho[2,3-e]indazole has a molecular weight of 218.26 g/mol, XLogP of 3.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-naphtho[2,3-e]indazole is sourced from PubChem (CID 57355763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).