N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine

C12H14F3N5 — CID 102708411

IUPACN-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNC(c1cn[nH]n1)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H14F3N5/c1-2-4-17-11(10-7-18-20-19-10)8-6-16-5-3-9(8)12(13,14)15/h3,5-7,11,17H,2,4H2,1H3,(H,18,19,20)
InChIKeyPSKYYRQEUKTNBA-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.31
Rot. Bonds5

About N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine

N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 102708411) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID102708411
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC NameN-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNC(c1cn[nH]n1)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H14F3N5/c1-2-4-17-11(10-7-18-20-19-10)8-6-16-5-3-9(8)12(13,14)15/h3,5-7,11,17H,2,4H2,1H3,(H,18,19,20)
InChIKeyPSKYYRQEUKTNBA-UHFFFAOYSA-N
XLogP2.31
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 102708410
N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102708017
N-[(2-bromofuran-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 106858910
N-[2-propan-2-yloxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102709978
N-[2-propylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102708209
N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 62802656
N-[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102709683
4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708203
N-propyl-4-[4-(trifluoromethyl)-3-pyridinyl]butan-2-amine
CID 102708886
N-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102708548
N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708033
N-[(2-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 114604169

Frequently Asked Questions

What is the IUPAC name of N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine (CID 102708411) is N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine is CCCNC(c1cn[nH]n1)c1cnccc1C(F)(F)F.
What is the InChIKey of N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is PSKYYRQEUKTNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-2-4-17-11(10-7-18-20-19-10)8-6-16-5-3-9(8)12(13,14)15/h3,5-7,11,17H,2,4H2,1H3,(H,18,19,20).
What are the key properties of N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 285.27 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 102708411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).