5-fluoro-2-(5-propyltetrazol-1-yl)aniline

C10H12FN5 — CID 62081162

IUPAC5-fluoro-2-(5-propyltetrazol-1-yl)aniline
SMILESCCCc1nnnn1-c1ccc(F)cc1N
InChIInChI=1S/C10H12FN5/c1-2-3-10-13-14-15-16(10)9-5-4-7(11)6-8(9)12/h4-6H,2-3,12H2,1H3
InChIKeyYMSFJBGABMRJOR-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.34
Rot. Bonds3

About 5-fluoro-2-(5-propyltetrazol-1-yl)aniline

5-fluoro-2-(5-propyltetrazol-1-yl)aniline (PubChem CID 62081162) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is 5-fluoro-2-(5-propyltetrazol-1-yl)aniline.

Molecular Properties

Compound Name5-fluoro-2-(5-propyltetrazol-1-yl)aniline
PubChem CID62081162
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name5-fluoro-2-(5-propyltetrazol-1-yl)aniline
SMILESCCCc1nnnn1-c1ccc(F)cc1N
InChIInChI=1S/C10H12FN5/c1-2-3-10-13-14-15-16(10)9-5-4-7(11)6-8(9)12/h4-6H,2-3,12H2,1H3
InChIKeyYMSFJBGABMRJOR-UHFFFAOYSA-N
XLogP1.34
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.34
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 5-fluoro-2-(5-propyltetrazol-1-yl)aniline?
The IUPAC name of 5-fluoro-2-(5-propyltetrazol-1-yl)aniline (CID 62081162) is 5-fluoro-2-(5-propyltetrazol-1-yl)aniline.
What is the SMILES notation for 5-fluoro-2-(5-propyltetrazol-1-yl)aniline?
The canonical SMILES for 5-fluoro-2-(5-propyltetrazol-1-yl)aniline is CCCc1nnnn1-c1ccc(F)cc1N.
What is the InChIKey of 5-fluoro-2-(5-propyltetrazol-1-yl)aniline?
The InChIKey is YMSFJBGABMRJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c1-2-3-10-13-14-15-16(10)9-5-4-7(11)6-8(9)12/h4-6H,2-3,12H2,1H3.
What are the key properties of 5-fluoro-2-(5-propyltetrazol-1-yl)aniline?
5-fluoro-2-(5-propyltetrazol-1-yl)aniline has a molecular weight of 221.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(5-propyltetrazol-1-yl)aniline is sourced from PubChem (CID 62081162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).