7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine

C12H14ClN3O — CID 167157773

IUPAC7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine
SMILESNc1cc(Cl)c2c(cnn2[C@@H]2CCCCO2)c1
InChIInChI=1S/C12H14ClN3O/c13-10-6-9(14)5-8-7-15-16(12(8)10)11-3-1-2-4-17-11/h5-7,11H,1-4,14H2/t11-/m0/s1
InChIKeyQHSOFPSRMJZZEN-NSHDSACASA-N
MW251.72 g/mol
LogP2.97
Rot. Bonds1

About 7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine

7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine (PubChem CID 167157773) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine.

Molecular Properties

Compound Name7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine
PubChem CID167157773
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine
SMILESNc1cc(Cl)c2c(cnn2[C@@H]2CCCCO2)c1
InChIInChI=1S/C12H14ClN3O/c13-10-6-9(14)5-8-7-15-16(12(8)10)11-3-1-2-4-17-11/h5-7,11H,1-4,14H2/t11-/m0/s1
InChIKeyQHSOFPSRMJZZEN-NSHDSACASA-N
XLogP2.97
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine?
The IUPAC name of 7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine (CID 167157773) is 7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine.
What is the SMILES notation for 7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine?
The canonical SMILES for 7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine is Nc1cc(Cl)c2c(cnn2[C@@H]2CCCCO2)c1.
What is the InChIKey of 7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine?
The InChIKey is QHSOFPSRMJZZEN-NSHDSACASA-N. The full InChI is InChI=1S/C12H14ClN3O/c13-10-6-9(14)5-8-7-15-16(12(8)10)11-3-1-2-4-17-11/h5-7,11H,1-4,14H2/t11-/m0/s1.
What are the key properties of 7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine?
7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine has a molecular weight of 251.72 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine is sourced from PubChem (CID 167157773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).