N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]propan-1-amine

C9H17FN4 — CID 81109504

IUPACN-[[1-(3-fluoropropyl)triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCCF)nn1
InChIInChI=1S/C9H17FN4/c1-2-5-11-7-9-8-14(13-12-9)6-3-4-10/h8,11H,2-7H2,1H3
InChIKeyOIKIQFMMQAUGRU-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.14
Rot. Bonds7

About N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]propan-1-amine

N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]propan-1-amine (PubChem CID 81109504) has the molecular formula C9H17FN4 and a molecular weight of 200.26 g/mol. Its IUPAC name is N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-fluoropropyl)triazol-4-yl]methyl]propan-1-amine
PubChem CID81109504
Molecular FormulaC9H17FN4
Molecular Weight200.26 g/mol
Exact Mass200.14
IUPAC NameN-[[1-(3-fluoropropyl)triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCCF)nn1
InChIInChI=1S/C9H17FN4/c1-2-5-11-7-9-8-14(13-12-9)6-3-4-10/h8,11H,2-7H2,1H3
InChIKeyOIKIQFMMQAUGRU-UHFFFAOYSA-N
XLogP1.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[1-(3-fluoropropyl)triazol-4-yl]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

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]propan-1-amine (CID 81109504) is N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(CCCF)nn1.
What is the InChIKey of N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]propan-1-amine?
The InChIKey is OIKIQFMMQAUGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN4/c1-2-5-11-7-9-8-14(13-12-9)6-3-4-10/h8,11H,2-7H2,1H3.
What are the key properties of N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]propan-1-amine?
N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]propan-1-amine has a molecular weight of 200.26 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 81109504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).