2-cyclopropyl-2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine

C9H15FN4 — CID 112567094

IUPAC2-cyclopropyl-2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCn1ncnc1CC(F)(CN)C1CC1
InChIInChI=1S/C9H15FN4/c1-14-8(12-6-13-14)4-9(10,5-11)7-2-3-7/h6-7H,2-5,11H2,1H3
InChIKeyOORIUUVGUFTQNC-UHFFFAOYSA-N
MW198.24 g/mol
LogP0.43
Rot. Bonds4

About 2-cyclopropyl-2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine

2-cyclopropyl-2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 112567094) has the molecular formula C9H15FN4 and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID112567094
Molecular FormulaC9H15FN4
Molecular Weight198.24 g/mol
Exact Mass198.13
IUPAC Name2-cyclopropyl-2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCn1ncnc1CC(F)(CN)C1CC1
InChIInChI=1S/C9H15FN4/c1-14-8(12-6-13-14)4-9(10,5-11)7-2-3-7/h6-7H,2-5,11H2,1H3
InChIKeyOORIUUVGUFTQNC-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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Related Compounds

1-[(1S)-2,2-diethylcyclopropyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 164629936
3-Decan-3-yl-1-(2-fluoroethyl)-1,2,4-triazole
CID 69050322
4-[1-(Difluoromethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 146389227
1-Methyl-5-cyclopentyl-1H-1,2,4-triazole
CID 15496059
4,4,4-trifluoro-N-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312072
4,4,4-Trifluoro-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312080
1-(2-Ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312094
4,4,4-Trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312099
4-Fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]azepane
CID 103983774
4-Fluoro-4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]azepane
CID 103983781
4-Fluoro-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]azepane
CID 103983894
4-[(2-Ethyl-1,2,4-triazol-3-yl)methyl]-4-fluoroazepane
CID 103983911

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine (CID 112567094) is 2-cyclopropyl-2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine is Cn1ncnc1CC(F)(CN)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is OORIUUVGUFTQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4/c1-14-8(12-6-13-14)4-9(10,5-11)7-2-3-7/h6-7H,2-5,11H2,1H3.
What are the key properties of 2-cyclopropyl-2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
2-cyclopropyl-2-fluoro-3-(2-methyl-1,2,4-triazol-3-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-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 112567094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).