5-ethyl-1-(3-fluoropropyl)triazol-4-amine

C7H13FN4 — CID 81110242

IUPAC5-ethyl-1-(3-fluoropropyl)triazol-4-amine
SMILESCCc1c(N)nnn1CCCF
InChIInChI=1S/C7H13FN4/c1-2-6-7(9)10-11-12(6)5-3-4-8/h2-5,9H2,1H3
InChIKeyTZXNILKHNGFXSN-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.78
Rot. Bonds4

About 5-ethyl-1-(3-fluoropropyl)triazol-4-amine

5-ethyl-1-(3-fluoropropyl)triazol-4-amine (PubChem CID 81110242) has the molecular formula C7H13FN4 and a molecular weight of 172.21 g/mol. Its IUPAC name is 5-ethyl-1-(3-fluoropropyl)triazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-(3-fluoropropyl)triazol-4-amine
PubChem CID81110242
Molecular FormulaC7H13FN4
Molecular Weight172.21 g/mol
Exact Mass172.11
IUPAC Name5-ethyl-1-(3-fluoropropyl)triazol-4-amine
SMILESCCc1c(N)nnn1CCCF
InChIInChI=1S/C7H13FN4/c1-2-6-7(9)10-11-12(6)5-3-4-8/h2-5,9H2,1H3
InChIKeyTZXNILKHNGFXSN-UHFFFAOYSA-N
XLogP0.78
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-1-propyltriazol-4-amine
CID 79542542
1-(3-fluoropropyl)-5-methyltriazol-4-amine
CID 81110241
5-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]triazol-4-amine
CID 103019252
5-ethyl-1-[2-(2-methoxyethoxy)ethyl]triazol-4-amine
CID 79542238
5-ethyl-1-[(4-fluorophenyl)methyl]triazol-4-amine
CID 79542224
5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]triazol-4-amine
CID 79542052
5-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
CID 79542440
1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-ethyltriazol-4-amine
CID 79542639
5-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
CID 79542816
1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]ethanamine
CID 82696919
[5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine
CID 82208944
1-[(1,3-diethylpyrazol-5-yl)methyl]-5-ethyltriazol-4-amine
CID 79542040

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(3-fluoropropyl)triazol-4-amine?
The IUPAC name of 5-ethyl-1-(3-fluoropropyl)triazol-4-amine (CID 81110242) is 5-ethyl-1-(3-fluoropropyl)triazol-4-amine.
What is the SMILES notation for 5-ethyl-1-(3-fluoropropyl)triazol-4-amine?
The canonical SMILES for 5-ethyl-1-(3-fluoropropyl)triazol-4-amine is CCc1c(N)nnn1CCCF.
What is the InChIKey of 5-ethyl-1-(3-fluoropropyl)triazol-4-amine?
The InChIKey is TZXNILKHNGFXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN4/c1-2-6-7(9)10-11-12(6)5-3-4-8/h2-5,9H2,1H3.
What are the key properties of 5-ethyl-1-(3-fluoropropyl)triazol-4-amine?
5-ethyl-1-(3-fluoropropyl)triazol-4-amine has a molecular weight of 172.21 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(3-fluoropropyl)triazol-4-amine is sourced from PubChem (CID 81110242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).