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

C10H12FN5 — CID 61376378

IUPAC4-fluoro-2-(1-propyltetrazol-5-yl)aniline
SMILESCCCn1nnnc1-c1cc(F)ccc1N
InChIInChI=1S/C10H12FN5/c1-2-5-16-10(13-14-15-16)8-6-7(11)3-4-9(8)12/h3-4,6H,2,5,12H2,1H3
InChIKeyYBQHFDCTJMJGPU-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.47
Rot. Bonds3

About 4-fluoro-2-(1-propyltetrazol-5-yl)aniline

4-fluoro-2-(1-propyltetrazol-5-yl)aniline (PubChem CID 61376378) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is 4-fluoro-2-(1-propyltetrazol-5-yl)aniline.

Molecular Properties

Compound Name4-fluoro-2-(1-propyltetrazol-5-yl)aniline
PubChem CID61376378
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name4-fluoro-2-(1-propyltetrazol-5-yl)aniline
SMILESCCCn1nnnc1-c1cc(F)ccc1N
InChIInChI=1S/C10H12FN5/c1-2-5-16-10(13-14-15-16)8-6-7(11)3-4-9(8)12/h3-4,6H,2,5,12H2,1H3
InChIKeyYBQHFDCTJMJGPU-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-ethoxypropyl)tetrazol-5-yl]-4-fluoroaniline
CID 61378138
4-fluoro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline
CID 102907806
2-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline
CID 61351666
4-fluoro-2-[1-[2-(oxan-2-yl)ethyl]tetrazol-5-yl]aniline
CID 106003099
2-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-4-fluoroaniline
CID 63684284
3-(1-butyltetrazol-5-yl)-4-fluoroaniline
CID 61351874
4-methoxy-2-[1-(3-propoxypropyl)tetrazol-5-yl]aniline
CID 82940112
4-chloro-2-[1-(3-methylbutyl)tetrazol-5-yl]aniline
CID 61351688
4-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 106387203
4-fluoro-2-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]aniline
CID 61378117
4-fluoro-2-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 61376405
2-[1-(3-ethyl-2-methylcyclopentyl)tetrazol-5-yl]-4-fluoroaniline
CID 64914665

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1-propyltetrazol-5-yl)aniline?
The IUPAC name of 4-fluoro-2-(1-propyltetrazol-5-yl)aniline (CID 61376378) is 4-fluoro-2-(1-propyltetrazol-5-yl)aniline.
What is the SMILES notation for 4-fluoro-2-(1-propyltetrazol-5-yl)aniline?
The canonical SMILES for 4-fluoro-2-(1-propyltetrazol-5-yl)aniline is CCCn1nnnc1-c1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-(1-propyltetrazol-5-yl)aniline?
The InChIKey is YBQHFDCTJMJGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c1-2-5-16-10(13-14-15-16)8-6-7(11)3-4-9(8)12/h3-4,6H,2,5,12H2,1H3.
What are the key properties of 4-fluoro-2-(1-propyltetrazol-5-yl)aniline?
4-fluoro-2-(1-propyltetrazol-5-yl)aniline has a molecular weight of 221.24 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1-propyltetrazol-5-yl)aniline is sourced from PubChem (CID 61376378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).