1-[3-(2-fluoroethyl)triazol-4-yl]-N-methylmethanamine

C6H11FN4 — CID 84650761

IUPAC1-[3-(2-fluoroethyl)triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnnn1CCF
InChIInChI=1S/C6H11FN4/c1-8-4-6-5-9-10-11(6)3-2-7/h5,8H,2-4H2,1H3
InChIKeyXGWPTWVOTSCUMX-UHFFFAOYSA-N
MW158.18 g/mol
LogP-0.03
Rot. Bonds4

About 1-[3-(2-fluoroethyl)triazol-4-yl]-N-methylmethanamine

1-[3-(2-fluoroethyl)triazol-4-yl]-N-methylmethanamine (PubChem CID 84650761) has the molecular formula C6H11FN4 and a molecular weight of 158.18 g/mol. Its IUPAC name is 1-[3-(2-fluoroethyl)triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2-fluoroethyl)triazol-4-yl]-N-methylmethanamine
PubChem CID84650761
Molecular FormulaC6H11FN4
Molecular Weight158.18 g/mol
Exact Mass158.10
IUPAC Name1-[3-(2-fluoroethyl)triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnnn1CCF
InChIInChI=1S/C6H11FN4/c1-8-4-6-5-9-10-11(6)3-2-7/h5,8H,2-4H2,1H3
InChIKeyXGWPTWVOTSCUMX-UHFFFAOYSA-N
XLogP-0.03
TPSA42.74 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 ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoroethyl)triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2-fluoroethyl)triazol-4-yl]-N-methylmethanamine (CID 84650761) is 1-[3-(2-fluoroethyl)triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2-fluoroethyl)triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2-fluoroethyl)triazol-4-yl]-N-methylmethanamine is CNCc1cnnn1CCF.
What is the InChIKey of 1-[3-(2-fluoroethyl)triazol-4-yl]-N-methylmethanamine?
The InChIKey is XGWPTWVOTSCUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN4/c1-8-4-6-5-9-10-11(6)3-2-7/h5,8H,2-4H2,1H3.
What are the key properties of 1-[3-(2-fluoroethyl)triazol-4-yl]-N-methylmethanamine?
1-[3-(2-fluoroethyl)triazol-4-yl]-N-methylmethanamine has a molecular weight of 158.18 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoroethyl)triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 84650761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).