2-fluoro-3-(2-methyltetrazol-5-yl)propan-1-amine

C5H10FN5 — CID 107061499

IUPAC2-fluoro-3-(2-methyltetrazol-5-yl)propan-1-amine
SMILESCn1nnc(CC(F)CN)n1
InChIInChI=1S/C5H10FN5/c1-11-9-5(8-10-11)2-4(6)3-7/h4H,2-3,7H2,1H3
InChIKeyKNSLBUMZFFYSHZ-UHFFFAOYSA-N
MW159.17 g/mol
LogP-0.95
Rot. Bonds3

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

2-fluoro-3-(2-methyltetrazol-5-yl)propan-1-amine (PubChem CID 107061499) has the molecular formula C5H10FN5 and a molecular weight of 159.17 g/mol. Its IUPAC name is 2-fluoro-3-(2-methyltetrazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-(2-methyltetrazol-5-yl)propan-1-amine
PubChem CID107061499
Molecular FormulaC5H10FN5
Molecular Weight159.17 g/mol
Exact Mass159.09
IUPAC Name2-fluoro-3-(2-methyltetrazol-5-yl)propan-1-amine
SMILESCn1nnc(CC(F)CN)n1
InChIInChI=1S/C5H10FN5/c1-11-9-5(8-10-11)2-4(6)3-7/h4H,2-3,7H2,1H3
InChIKeyKNSLBUMZFFYSHZ-UHFFFAOYSA-N
XLogP-0.95
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2-methyltetrazol-5-yl)propan-1-amine?
The IUPAC name of 2-fluoro-3-(2-methyltetrazol-5-yl)propan-1-amine (CID 107061499) is 2-fluoro-3-(2-methyltetrazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-fluoro-3-(2-methyltetrazol-5-yl)propan-1-amine?
The canonical SMILES for 2-fluoro-3-(2-methyltetrazol-5-yl)propan-1-amine is Cn1nnc(CC(F)CN)n1.
What is the InChIKey of 2-fluoro-3-(2-methyltetrazol-5-yl)propan-1-amine?
The InChIKey is KNSLBUMZFFYSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN5/c1-11-9-5(8-10-11)2-4(6)3-7/h4H,2-3,7H2,1H3.
What are the key properties of 2-fluoro-3-(2-methyltetrazol-5-yl)propan-1-amine?
2-fluoro-3-(2-methyltetrazol-5-yl)propan-1-amine has a molecular weight of 159.17 g/mol, XLogP of -0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2-methyltetrazol-5-yl)propan-1-amine is sourced from PubChem (CID 107061499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).