1-(3-fluoropropyl)-5-propan-2-yltriazol-4-amine

C8H15FN4 — CID 81110346

IUPAC1-(3-fluoropropyl)-5-propan-2-yltriazol-4-amine
SMILESCC(C)c1c(N)nnn1CCCF
InChIInChI=1S/C8H15FN4/c1-6(2)7-8(10)11-12-13(7)5-3-4-9/h6H,3-5,10H2,1-2H3
InChIKeySVSLMZHQOGAIHS-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.34
Rot. Bonds4

About 1-(3-fluoropropyl)-5-propan-2-yltriazol-4-amine

1-(3-fluoropropyl)-5-propan-2-yltriazol-4-amine (PubChem CID 81110346) has the molecular formula C8H15FN4 and a molecular weight of 186.23 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-5-propan-2-yltriazol-4-amine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-5-propan-2-yltriazol-4-amine
PubChem CID81110346
Molecular FormulaC8H15FN4
Molecular Weight186.23 g/mol
Exact Mass186.13
IUPAC Name1-(3-fluoropropyl)-5-propan-2-yltriazol-4-amine
SMILESCC(C)c1c(N)nnn1CCCF
InChIInChI=1S/C8H15FN4/c1-6(2)7-8(10)11-12-13(7)5-3-4-9/h6H,3-5,10H2,1-2H3
InChIKeySVSLMZHQOGAIHS-UHFFFAOYSA-N
XLogP1.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-5-propan-2-yltriazol-4-amine?
The IUPAC name of 1-(3-fluoropropyl)-5-propan-2-yltriazol-4-amine (CID 81110346) is 1-(3-fluoropropyl)-5-propan-2-yltriazol-4-amine.
What is the SMILES notation for 1-(3-fluoropropyl)-5-propan-2-yltriazol-4-amine?
The canonical SMILES for 1-(3-fluoropropyl)-5-propan-2-yltriazol-4-amine is CC(C)c1c(N)nnn1CCCF.
What is the InChIKey of 1-(3-fluoropropyl)-5-propan-2-yltriazol-4-amine?
The InChIKey is SVSLMZHQOGAIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN4/c1-6(2)7-8(10)11-12-13(7)5-3-4-9/h6H,3-5,10H2,1-2H3.
What are the key properties of 1-(3-fluoropropyl)-5-propan-2-yltriazol-4-amine?
1-(3-fluoropropyl)-5-propan-2-yltriazol-4-amine has a molecular weight of 186.23 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-5-propan-2-yltriazol-4-amine is sourced from PubChem (CID 81110346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).