1H-indazole;9H-xanthen-1-amine

C20H17N3O — CID 175059055

IUPAC1H-indazole;9H-xanthen-1-amine
SMILESNc1cccc2c1Cc1ccccc1O2.c1ccc2[nH]ncc2c1
InChIInChI=1S/C13H11NO.C7H6N2/c14-11-5-3-7-13-10(11)8-9-4-1-2-6-12(9)15-13;1-2-4-7-6(3-1)5-8-9-7/h1-7H,8,14H2;1-5H,(H,8,9)
InChIKeyLJCUDWPJFMYYTI-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.53
Rot. Bonds

About 1H-indazole;9H-xanthen-1-amine

1H-indazole;9H-xanthen-1-amine (PubChem CID 175059055) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 1H-indazole;9H-xanthen-1-amine.

Molecular Properties

Compound Name1H-indazole;9H-xanthen-1-amine
PubChem CID175059055
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name1H-indazole;9H-xanthen-1-amine
SMILESNc1cccc2c1Cc1ccccc1O2.c1ccc2[nH]ncc2c1
InChIInChI=1S/C13H11NO.C7H6N2/c14-11-5-3-7-13-10(11)8-9-4-1-2-6-12(9)15-13;1-2-4-7-6(3-1)5-8-9-7/h1-7H,8,14H2;1-5H,(H,8,9)
InChIKeyLJCUDWPJFMYYTI-UHFFFAOYSA-N
XLogP4.53
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-indazole;9H-xanthen-1-amine?
The IUPAC name of 1H-indazole;9H-xanthen-1-amine (CID 175059055) is 1H-indazole;9H-xanthen-1-amine.
What is the SMILES notation for 1H-indazole;9H-xanthen-1-amine?
The canonical SMILES for 1H-indazole;9H-xanthen-1-amine is Nc1cccc2c1Cc1ccccc1O2.c1ccc2[nH]ncc2c1.
What is the InChIKey of 1H-indazole;9H-xanthen-1-amine?
The InChIKey is LJCUDWPJFMYYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO.C7H6N2/c14-11-5-3-7-13-10(11)8-9-4-1-2-6-12(9)15-13;1-2-4-7-6(3-1)5-8-9-7/h1-7H,8,14H2;1-5H,(H,8,9).
What are the key properties of 1H-indazole;9H-xanthen-1-amine?
1H-indazole;9H-xanthen-1-amine has a molecular weight of 315.38 g/mol, XLogP of 4.53, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole;9H-xanthen-1-amine is sourced from PubChem (CID 175059055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).