2-cyclopropyl-2-fluoro-3-(1-methyltriazol-4-yl)propan-1-amine

C9H15FN4 — CID 107061549

IUPAC2-cyclopropyl-2-fluoro-3-(1-methyltriazol-4-yl)propan-1-amine
SMILESCn1cc(CC(F)(CN)C2CC2)nn1
InChIInChI=1S/C9H15FN4/c1-14-5-8(12-13-14)4-9(10,6-11)7-2-3-7/h5,7H,2-4,6,11H2,1H3
InChIKeyYHRMYWLXBGQYDX-UHFFFAOYSA-N
MW198.24 g/mol
LogP0.43
Rot. Bonds4

About 2-cyclopropyl-2-fluoro-3-(1-methyltriazol-4-yl)propan-1-amine

2-cyclopropyl-2-fluoro-3-(1-methyltriazol-4-yl)propan-1-amine (PubChem CID 107061549) has the molecular formula C9H15FN4 and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoro-3-(1-methyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoro-3-(1-methyltriazol-4-yl)propan-1-amine
PubChem CID107061549
Molecular FormulaC9H15FN4
Molecular Weight198.24 g/mol
Exact Mass198.13
IUPAC Name2-cyclopropyl-2-fluoro-3-(1-methyltriazol-4-yl)propan-1-amine
SMILESCn1cc(CC(F)(CN)C2CC2)nn1
InChIInChI=1S/C9H15FN4/c1-14-5-8(12-13-14)4-9(10,6-11)7-2-3-7/h5,7H,2-4,6,11H2,1H3
InChIKeyYHRMYWLXBGQYDX-UHFFFAOYSA-N
XLogP0.43
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-fluoro-3-(1-methyltriazol-4-yl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-2-fluoro-3-(1-methyltriazol-4-yl)propan-1-amine (CID 107061549) is 2-cyclopropyl-2-fluoro-3-(1-methyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-fluoro-3-(1-methyltriazol-4-yl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-fluoro-3-(1-methyltriazol-4-yl)propan-1-amine is Cn1cc(CC(F)(CN)C2CC2)nn1.
What is the InChIKey of 2-cyclopropyl-2-fluoro-3-(1-methyltriazol-4-yl)propan-1-amine?
The InChIKey is YHRMYWLXBGQYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4/c1-14-5-8(12-13-14)4-9(10,6-11)7-2-3-7/h5,7H,2-4,6,11H2,1H3.
What are the key properties of 2-cyclopropyl-2-fluoro-3-(1-methyltriazol-4-yl)propan-1-amine?
2-cyclopropyl-2-fluoro-3-(1-methyltriazol-4-yl)propan-1-amine has a molecular weight of 198.24 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-fluoro-3-(1-methyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 107061549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).