3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclohexan-1-amine

C11H19FN4 — CID 112567525

IUPAC3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclohexan-1-amine
SMILESCCn1ncnc1CC1(F)CCCC(N)C1
InChIInChI=1S/C11H19FN4/c1-2-16-10(14-8-15-16)7-11(12)5-3-4-9(13)6-11/h8-9H,2-7,13H2,1H3
InChIKeyRZDGOYMNWBTSMP-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.45
Rot. Bonds3

About 3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclohexan-1-amine

3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclohexan-1-amine (PubChem CID 112567525) has the molecular formula C11H19FN4 and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclohexan-1-amine
PubChem CID112567525
Molecular FormulaC11H19FN4
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC Name3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclohexan-1-amine
SMILESCCn1ncnc1CC1(F)CCCC(N)C1
InChIInChI=1S/C11H19FN4/c1-2-16-10(14-8-15-16)7-11(12)5-3-4-9(13)6-11/h8-9H,2-7,13H2,1H3
InChIKeyRZDGOYMNWBTSMP-UHFFFAOYSA-N
XLogP1.45
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclohexan-1-amine?
The IUPAC name of 3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclohexan-1-amine (CID 112567525) is 3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclohexan-1-amine.
What is the SMILES notation for 3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclohexan-1-amine?
The canonical SMILES for 3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclohexan-1-amine is CCn1ncnc1CC1(F)CCCC(N)C1.
What is the InChIKey of 3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclohexan-1-amine?
The InChIKey is RZDGOYMNWBTSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4/c1-2-16-10(14-8-15-16)7-11(12)5-3-4-9(13)6-11/h8-9H,2-7,13H2,1H3.
What are the key properties of 3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclohexan-1-amine?
3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclohexan-1-amine has a molecular weight of 226.30 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclohexan-1-amine is sourced from PubChem (CID 112567525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).