3-fluoro-4-(2-methyltetrazol-5-yl)butan-1-amine

C6H12FN5 — CID 107061558

IUPAC3-fluoro-4-(2-methyltetrazol-5-yl)butan-1-amine
SMILESCn1nnc(CC(F)CCN)n1
InChIInChI=1S/C6H12FN5/c1-12-10-6(9-11-12)4-5(7)2-3-8/h5H,2-4,8H2,1H3
InChIKeyXHATXUFVRXTBPU-UHFFFAOYSA-N
MW173.19 g/mol
LogP-0.56
Rot. Bonds4

About 3-fluoro-4-(2-methyltetrazol-5-yl)butan-1-amine

3-fluoro-4-(2-methyltetrazol-5-yl)butan-1-amine (PubChem CID 107061558) has the molecular formula C6H12FN5 and a molecular weight of 173.19 g/mol. Its IUPAC name is 3-fluoro-4-(2-methyltetrazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name3-fluoro-4-(2-methyltetrazol-5-yl)butan-1-amine
PubChem CID107061558
Molecular FormulaC6H12FN5
Molecular Weight173.19 g/mol
Exact Mass173.11
IUPAC Name3-fluoro-4-(2-methyltetrazol-5-yl)butan-1-amine
SMILESCn1nnc(CC(F)CCN)n1
InChIInChI=1S/C6H12FN5/c1-12-10-6(9-11-12)4-5(7)2-3-8/h5H,2-4,8H2,1H3
InChIKeyXHATXUFVRXTBPU-UHFFFAOYSA-N
XLogP-0.56
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-methyltetrazol-5-yl)butan-1-amine?
The IUPAC name of 3-fluoro-4-(2-methyltetrazol-5-yl)butan-1-amine (CID 107061558) is 3-fluoro-4-(2-methyltetrazol-5-yl)butan-1-amine.
What is the SMILES notation for 3-fluoro-4-(2-methyltetrazol-5-yl)butan-1-amine?
The canonical SMILES for 3-fluoro-4-(2-methyltetrazol-5-yl)butan-1-amine is Cn1nnc(CC(F)CCN)n1.
What is the InChIKey of 3-fluoro-4-(2-methyltetrazol-5-yl)butan-1-amine?
The InChIKey is XHATXUFVRXTBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN5/c1-12-10-6(9-11-12)4-5(7)2-3-8/h5H,2-4,8H2,1H3.
What are the key properties of 3-fluoro-4-(2-methyltetrazol-5-yl)butan-1-amine?
3-fluoro-4-(2-methyltetrazol-5-yl)butan-1-amine has a molecular weight of 173.19 g/mol, XLogP of -0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-methyltetrazol-5-yl)butan-1-amine is sourced from PubChem (CID 107061558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).