4-cyclopropyl-2-fluoro-5-(tetrazol-1-yl)aniline

C10H10FN5 — CID 58065786

IUPAC4-cyclopropyl-2-fluoro-5-(tetrazol-1-yl)aniline
SMILESNc1cc(-n2cnnn2)c(C2CC2)cc1F
InChIInChI=1S/C10H10FN5/c11-8-3-7(6-1-2-6)10(4-9(8)12)16-5-13-14-15-16/h3-6H,1-2,12H2
InChIKeyQORLRFOHRYYRBO-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.26
Rot. Bonds2

About 4-cyclopropyl-2-fluoro-5-(tetrazol-1-yl)aniline

4-cyclopropyl-2-fluoro-5-(tetrazol-1-yl)aniline (PubChem CID 58065786) has the molecular formula C10H10FN5 and a molecular weight of 219.22 g/mol. Its IUPAC name is 4-cyclopropyl-2-fluoro-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name4-cyclopropyl-2-fluoro-5-(tetrazol-1-yl)aniline
PubChem CID58065786
Molecular FormulaC10H10FN5
Molecular Weight219.22 g/mol
Exact Mass219.09
IUPAC Name4-cyclopropyl-2-fluoro-5-(tetrazol-1-yl)aniline
SMILESNc1cc(-n2cnnn2)c(C2CC2)cc1F
InChIInChI=1S/C10H10FN5/c11-8-3-7(6-1-2-6)10(4-9(8)12)16-5-13-14-15-16/h3-6H,1-2,12H2
InChIKeyQORLRFOHRYYRBO-UHFFFAOYSA-N
XLogP1.26
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-fluoro-5-(tetrazol-1-yl)aniline?
The IUPAC name of 4-cyclopropyl-2-fluoro-5-(tetrazol-1-yl)aniline (CID 58065786) is 4-cyclopropyl-2-fluoro-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 4-cyclopropyl-2-fluoro-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 4-cyclopropyl-2-fluoro-5-(tetrazol-1-yl)aniline is Nc1cc(-n2cnnn2)c(C2CC2)cc1F.
What is the InChIKey of 4-cyclopropyl-2-fluoro-5-(tetrazol-1-yl)aniline?
The InChIKey is QORLRFOHRYYRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5/c11-8-3-7(6-1-2-6)10(4-9(8)12)16-5-13-14-15-16/h3-6H,1-2,12H2.
What are the key properties of 4-cyclopropyl-2-fluoro-5-(tetrazol-1-yl)aniline?
4-cyclopropyl-2-fluoro-5-(tetrazol-1-yl)aniline has a molecular weight of 219.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-fluoro-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 58065786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).