2-cyclopropyl-2-fluoro-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine

C12H21FN4 — CID 112567289

IUPAC2-cyclopropyl-2-fluoro-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine
SMILESCC(C)Cn1ncnc1CC(F)(CN)C1CC1
InChIInChI=1S/C12H21FN4/c1-9(2)6-17-11(15-8-16-17)5-12(13,7-14)10-3-4-10/h8-10H,3-7,14H2,1-2H3
InChIKeyPCSAFTCMZYFNER-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.55
Rot. Bonds6

About 2-cyclopropyl-2-fluoro-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine

2-cyclopropyl-2-fluoro-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine (PubChem CID 112567289) has the molecular formula C12H21FN4 and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoro-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoro-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine
PubChem CID112567289
Molecular FormulaC12H21FN4
Molecular Weight240.33 g/mol
Exact Mass240.18
IUPAC Name2-cyclopropyl-2-fluoro-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine
SMILESCC(C)Cn1ncnc1CC(F)(CN)C1CC1
InChIInChI=1S/C12H21FN4/c1-9(2)6-17-11(15-8-16-17)5-12(13,7-14)10-3-4-10/h8-10H,3-7,14H2,1-2H3
InChIKeyPCSAFTCMZYFNER-UHFFFAOYSA-N
XLogP1.55
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62694266
3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62693866
3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine
CID 86820601
(3R*,4S*)-4-cyclopropyl-1-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-pyrrolidinamine
CID 72882922
(3R)-1-methyl-3-[2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]piperidine
CID 129622704
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-[[3-[1-(Trifluoromethyl)cyclopropyl]-1,2,4-triazol-1-yl]methyl]piperidine
CID 169691615
4,4,4-Trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
CID 65606062
5,5,5-Trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
CID 79953154
N-ethyl-5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
CID 79953177
5,5,5-trifluoro-N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
CID 79953443

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-fluoro-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine?
The IUPAC name of 2-cyclopropyl-2-fluoro-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine (CID 112567289) is 2-cyclopropyl-2-fluoro-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-fluoro-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-fluoro-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine is CC(C)Cn1ncnc1CC(F)(CN)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-fluoro-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine?
The InChIKey is PCSAFTCMZYFNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN4/c1-9(2)6-17-11(15-8-16-17)5-12(13,7-14)10-3-4-10/h8-10H,3-7,14H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-fluoro-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine?
2-cyclopropyl-2-fluoro-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine has a molecular weight of 240.33 g/mol, XLogP of 1.55, 6 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-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine is sourced from PubChem (CID 112567289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).