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

C15H11ClN2 — CID 87185986

IUPAC3H-naphtho[2,3-e]indazole;hydrochloride
SMILESCl.c1ccc2cc3c(ccc4[nH]ncc43)cc2c1
InChIInChI=1S/C15H10N2.ClH/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);1H
InChIKeyGDLQJJCZOHGNAP-UHFFFAOYSA-N
MW254.72 g/mol
LogP4.29
Rot. Bonds

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

3H-naphtho[2,3-e]indazole;hydrochloride (PubChem CID 87185986) has the molecular formula C15H11ClN2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3H-naphtho[2,3-e]indazole;hydrochloride.

Molecular Properties

Compound Name3H-naphtho[2,3-e]indazole;hydrochloride
PubChem CID87185986
Molecular FormulaC15H11ClN2
Molecular Weight254.72 g/mol
Exact Mass254.06
IUPAC Name3H-naphtho[2,3-e]indazole;hydrochloride
SMILESCl.c1ccc2cc3c(ccc4[nH]ncc43)cc2c1
InChIInChI=1S/C15H10N2.ClH/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);1H
InChIKeyGDLQJJCZOHGNAP-UHFFFAOYSA-N
XLogP4.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 54.29
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;hydrochloride 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

CID 21455599
CID 21455599
CID 820806
CID 820806
CID 2737035
CID 2737035
CID 12639191
CID 12639191
CID 11687579
CID 11687579
CID 56941820
CID 56941820
CID 56941822
CID 56941822
CID 68995479
CID 68995479
CID 71735205
CID 71735205
CID 90645447
CID 90645447
CID 90645460
CID 90645460
CID 90645472
CID 90645472

Frequently Asked Questions

What is the IUPAC name of 3H-naphtho[2,3-e]indazole;hydrochloride?
The IUPAC name of 3H-naphtho[2,3-e]indazole;hydrochloride (CID 87185986) is 3H-naphtho[2,3-e]indazole;hydrochloride.
What is the SMILES notation for 3H-naphtho[2,3-e]indazole;hydrochloride?
The canonical SMILES for 3H-naphtho[2,3-e]indazole;hydrochloride is Cl.c1ccc2cc3c(ccc4[nH]ncc43)cc2c1.
What is the InChIKey of 3H-naphtho[2,3-e]indazole;hydrochloride?
The InChIKey is GDLQJJCZOHGNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2.ClH/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);1H.
What are the key properties of 3H-naphtho[2,3-e]indazole;hydrochloride?
3H-naphtho[2,3-e]indazole;hydrochloride has a molecular weight of 254.72 g/mol, XLogP of 4.29, 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;hydrochloride is sourced from PubChem (CID 87185986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).