5-fluoro-2-(2-methylpropyl)tetrazole

C5H9FN4 — CID 69034388

IUPAC5-fluoro-2-(2-methylpropyl)tetrazole
SMILESCC(C)Cn1nnc(F)n1
InChIInChI=1S/C5H9FN4/c1-4(2)3-10-8-5(6)7-9-10/h4H,3H2,1-2H3
InChIKeyYZUGYQKHHKOTPW-UHFFFAOYSA-N
MW144.15 g/mol
LogP0.47
Rot. Bonds2

About 5-fluoro-2-(2-methylpropyl)tetrazole

5-fluoro-2-(2-methylpropyl)tetrazole (PubChem CID 69034388) has the molecular formula C5H9FN4 and a molecular weight of 144.15 g/mol. Its IUPAC name is 5-fluoro-2-(2-methylpropyl)tetrazole.

Molecular Properties

Compound Name5-fluoro-2-(2-methylpropyl)tetrazole
PubChem CID69034388
Molecular FormulaC5H9FN4
Molecular Weight144.15 g/mol
Exact Mass144.08
IUPAC Name5-fluoro-2-(2-methylpropyl)tetrazole
SMILESCC(C)Cn1nnc(F)n1
InChIInChI=1S/C5H9FN4/c1-4(2)3-10-8-5(6)7-9-10/h4H,3H2,1-2H3
InChIKeyYZUGYQKHHKOTPW-UHFFFAOYSA-N
XLogP0.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropyl)-5-(trichloromethyl)tetrazole
CID 69035182
2-[2-(2-methylpropyl)tetrazol-5-yl]propanenitrile
CID 84767913
6-methyl-4-[2-(2-methylpropyl)tetrazol-5-yl]pyridine-2-carboxylic acid
CID 68745747
3-[(2,6-difluorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazole
CID 113301450
4-chloro-N-[[2-(2-methylpropyl)tetrazol-5-yl]carbamothioyl]benzamide
CID 17099345
1-(2,2-difluoroethyl)-3-(2-methylpropyl)imidazolidine-2,4,5-trione
CID 86794486
methyl 4-[2-(2,2-difluoroethyl)tetrazol-5-yl]benzoate
CID 71999533
5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-2-ethyltetrazole
CID 90029848
4-(4-methyl-1,2,4-triazol-3-yl)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]piperidine
CID 99932002
5-methyl-3-(2-methylpropyl)triazole-4-carboxylic acid
CID 82407288
3-(1,1-difluoroethyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 130702263
N-[[2-(2-methylpropyl)tetrazol-5-yl]carbamothioyl]naphthalene-1-carboxamide
CID 17099400

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methylpropyl)tetrazole?
The IUPAC name of 5-fluoro-2-(2-methylpropyl)tetrazole (CID 69034388) is 5-fluoro-2-(2-methylpropyl)tetrazole.
What is the SMILES notation for 5-fluoro-2-(2-methylpropyl)tetrazole?
The canonical SMILES for 5-fluoro-2-(2-methylpropyl)tetrazole is CC(C)Cn1nnc(F)n1.
What is the InChIKey of 5-fluoro-2-(2-methylpropyl)tetrazole?
The InChIKey is YZUGYQKHHKOTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN4/c1-4(2)3-10-8-5(6)7-9-10/h4H,3H2,1-2H3.
What are the key properties of 5-fluoro-2-(2-methylpropyl)tetrazole?
5-fluoro-2-(2-methylpropyl)tetrazole has a molecular weight of 144.15 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methylpropyl)tetrazole is sourced from PubChem (CID 69034388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).