3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine

C10H17FN4 — CID 112564147

IUPAC3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
SMILESCCCn1ncnc1CC1(F)CC(N)C1
InChIInChI=1S/C10H17FN4/c1-2-3-15-9(13-7-14-15)6-10(11)4-8(12)5-10/h7-8H,2-6,12H2,1H3
InChIKeyDAHZAZAMEDZZIK-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.06
Rot. Bonds4

About 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine

3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine (PubChem CID 112564147) has the molecular formula C10H17FN4 and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
PubChem CID112564147
Molecular FormulaC10H17FN4
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC Name3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
SMILESCCCn1ncnc1CC1(F)CC(N)C1
InChIInChI=1S/C10H17FN4/c1-2-3-15-9(13-7-14-15)6-10(11)4-8(12)5-10/h7-8H,2-6,12H2,1H3
InChIKeyDAHZAZAMEDZZIK-UHFFFAOYSA-N
XLogP1.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine (CID 112564147) is 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine is CCCn1ncnc1CC1(F)CC(N)C1.
What is the InChIKey of 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is DAHZAZAMEDZZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4/c1-2-3-15-9(13-7-14-15)6-10(11)4-8(12)5-10/h7-8H,2-6,12H2,1H3.
What are the key properties of 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 212.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 112564147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).