4-methyl-1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine

C11H18F3N5 — CID 102799054

IUPAC4-methyl-1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCC1CCN(c2n[nH]c(CCC(F)(F)F)n2)CC1N
InChIInChI=1S/C11H18F3N5/c1-7-3-5-19(6-8(7)15)10-16-9(17-18-10)2-4-11(12,13)14/h7-8H,2-6,15H2,1H3,(H,16,17,18)
InChIKeyAKHCQQHEOSOTPT-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.47
Rot. Bonds3

About 4-methyl-1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine

4-methyl-1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (PubChem CID 102799054) has the molecular formula C11H18F3N5 and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-methyl-1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
PubChem CID102799054
Molecular FormulaC11H18F3N5
Molecular Weight277.29 g/mol
Exact Mass277.15
IUPAC Name4-methyl-1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCC1CCN(c2n[nH]c(CCC(F)(F)F)n2)CC1N
InChIInChI=1S/C11H18F3N5/c1-7-3-5-19(6-8(7)15)10-16-9(17-18-10)2-4-11(12,13)14/h7-8H,2-6,15H2,1H3,(H,16,17,18)
InChIKeyAKHCQQHEOSOTPT-UHFFFAOYSA-N
XLogP1.47
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine with MolForge

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Related Compounds

4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine
CID 53192491
4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 47002730
4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine hydrochloride
CID 71758195
4-(3-ethyl-1H-1,2,4-triazol-5-yl)piperidine dihydrochloride
CID 155858502
Sdccgsbi-0659127.P001
CID 53192262
2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 61276907
(2R*,6S*)-1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpiperidine
CID 50973592
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 75439955
(cis-3-{4-ethyl-5-[(4-fluoropiperidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}cyclobutyl)amine
CID 91770191
1-[(2S)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butan-2-yl]-4-methylpiperazine
CID 95132693
(2S)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-1-propan-2-ylpiperazine
CID 124752864
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine
CID 124755825

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The IUPAC name of 4-methyl-1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (CID 102799054) is 4-methyl-1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 4-methyl-1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The canonical SMILES for 4-methyl-1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is CC1CCN(c2n[nH]c(CCC(F)(F)F)n2)CC1N.
What is the InChIKey of 4-methyl-1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The InChIKey is AKHCQQHEOSOTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5/c1-7-3-5-19(6-8(7)15)10-16-9(17-18-10)2-4-11(12,13)14/h7-8H,2-6,15H2,1H3,(H,16,17,18).
What are the key properties of 4-methyl-1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
4-methyl-1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine has a molecular weight of 277.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[5-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 102799054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).