1-amino-4-indazol-1-ylbutan-2-ol

C11H15N3O — CID 64820572

IUPAC1-amino-4-indazol-1-ylbutan-2-ol
SMILESNCC(O)CCn1ncc2ccccc21
InChIInChI=1S/C11H15N3O/c12-7-10(15)5-6-14-11-4-2-1-3-9(11)8-13-14/h1-4,8,10,15H,5-7,12H2
InChIKeyBSMHOVAONDSKEB-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.75
Rot. Bonds4

About 1-amino-4-indazol-1-ylbutan-2-ol

1-amino-4-indazol-1-ylbutan-2-ol (PubChem CID 64820572) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-amino-4-indazol-1-ylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-indazol-1-ylbutan-2-ol
PubChem CID64820572
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-amino-4-indazol-1-ylbutan-2-ol
SMILESNCC(O)CCn1ncc2ccccc21
InChIInChI=1S/C11H15N3O/c12-7-10(15)5-6-14-11-4-2-1-3-9(11)8-13-14/h1-4,8,10,15H,5-7,12H2
InChIKeyBSMHOVAONDSKEB-UHFFFAOYSA-N
XLogP0.75
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-indazol-1-ylbutan-2-ol?
The IUPAC name of 1-amino-4-indazol-1-ylbutan-2-ol (CID 64820572) is 1-amino-4-indazol-1-ylbutan-2-ol.
What is the SMILES notation for 1-amino-4-indazol-1-ylbutan-2-ol?
The canonical SMILES for 1-amino-4-indazol-1-ylbutan-2-ol is NCC(O)CCn1ncc2ccccc21.
What is the InChIKey of 1-amino-4-indazol-1-ylbutan-2-ol?
The InChIKey is BSMHOVAONDSKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-7-10(15)5-6-14-11-4-2-1-3-9(11)8-13-14/h1-4,8,10,15H,5-7,12H2.
What are the key properties of 1-amino-4-indazol-1-ylbutan-2-ol?
1-amino-4-indazol-1-ylbutan-2-ol has a molecular weight of 205.26 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-indazol-1-ylbutan-2-ol is sourced from PubChem (CID 64820572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).