1-butan-2-ylindazol-5-amine;iron

C11H15FeN3 — CID 69411319

IUPAC1-butan-2-ylindazol-5-amine;iron
SMILESCCC(C)n1ncc2cc(N)ccc21.[Fe]
InChIInChI=1S/C11H15N3.Fe/c1-3-8(2)14-11-5-4-10(12)6-9(11)7-13-14;/h4-8H,3,12H2,1-2H3;
InChIKeyJAMFZPUNGZSEQQ-UHFFFAOYSA-N
MW245.11 g/mol
LogP2.59
Rot. Bonds2

About 1-butan-2-ylindazol-5-amine;iron

1-butan-2-ylindazol-5-amine;iron (PubChem CID 69411319) has the molecular formula C11H15FeN3 and a molecular weight of 245.11 g/mol. Its IUPAC name is 1-butan-2-ylindazol-5-amine;iron.

Molecular Properties

Compound Name1-butan-2-ylindazol-5-amine;iron
PubChem CID69411319
Molecular FormulaC11H15FeN3
Molecular Weight245.11 g/mol
Exact Mass245.06
IUPAC Name1-butan-2-ylindazol-5-amine;iron
SMILESCCC(C)n1ncc2cc(N)ccc21.[Fe]
InChIInChI=1S/C11H15N3.Fe/c1-3-8(2)14-11-5-4-10(12)6-9(11)7-13-14;/h4-8H,3,12H2,1-2H3;
InChIKeyJAMFZPUNGZSEQQ-UHFFFAOYSA-N
XLogP2.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylindazol-5-amine;iron?
The IUPAC name of 1-butan-2-ylindazol-5-amine;iron (CID 69411319) is 1-butan-2-ylindazol-5-amine;iron.
What is the SMILES notation for 1-butan-2-ylindazol-5-amine;iron?
The canonical SMILES for 1-butan-2-ylindazol-5-amine;iron is CCC(C)n1ncc2cc(N)ccc21.[Fe].
What is the InChIKey of 1-butan-2-ylindazol-5-amine;iron?
The InChIKey is JAMFZPUNGZSEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.Fe/c1-3-8(2)14-11-5-4-10(12)6-9(11)7-13-14;/h4-8H,3,12H2,1-2H3;.
What are the key properties of 1-butan-2-ylindazol-5-amine;iron?
1-butan-2-ylindazol-5-amine;iron has a molecular weight of 245.11 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylindazol-5-amine;iron is sourced from PubChem (CID 69411319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).