[3-(3-fluoropropyl)triazol-4-yl]methanamine

C6H11FN4 — CID 84650768

IUPAC[3-(3-fluoropropyl)triazol-4-yl]methanamine
SMILESNCc1cnnn1CCCF
InChIInChI=1S/C6H11FN4/c7-2-1-3-11-6(4-8)5-9-10-11/h5H,1-4,8H2
InChIKeyFLHHEJUZLRRIMV-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.10
Rot. Bonds4

About [3-(3-fluoropropyl)triazol-4-yl]methanamine

[3-(3-fluoropropyl)triazol-4-yl]methanamine (PubChem CID 84650768) has the molecular formula C6H11FN4 and a molecular weight of 158.18 g/mol. Its IUPAC name is [3-(3-fluoropropyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(3-fluoropropyl)triazol-4-yl]methanamine
PubChem CID84650768
Molecular FormulaC6H11FN4
Molecular Weight158.18 g/mol
Exact Mass158.10
IUPAC Name[3-(3-fluoropropyl)triazol-4-yl]methanamine
SMILESNCc1cnnn1CCCF
InChIInChI=1S/C6H11FN4/c7-2-1-3-11-6(4-8)5-9-10-11/h5H,1-4,8H2
InChIKeyFLHHEJUZLRRIMV-UHFFFAOYSA-N
XLogP0.10
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoropropyl)triazol-4-yl]methanamine?
The IUPAC name of [3-(3-fluoropropyl)triazol-4-yl]methanamine (CID 84650768) is [3-(3-fluoropropyl)triazol-4-yl]methanamine.
What is the SMILES notation for [3-(3-fluoropropyl)triazol-4-yl]methanamine?
The canonical SMILES for [3-(3-fluoropropyl)triazol-4-yl]methanamine is NCc1cnnn1CCCF.
What is the InChIKey of [3-(3-fluoropropyl)triazol-4-yl]methanamine?
The InChIKey is FLHHEJUZLRRIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN4/c7-2-1-3-11-6(4-8)5-9-10-11/h5H,1-4,8H2.
What are the key properties of [3-(3-fluoropropyl)triazol-4-yl]methanamine?
[3-(3-fluoropropyl)triazol-4-yl]methanamine has a molecular weight of 158.18 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoropropyl)triazol-4-yl]methanamine is sourced from PubChem (CID 84650768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).