1-[(4-fluorophenyl)methyl]triazinane

C10H14FN3 — CID 174675035

IUPAC1-[(4-fluorophenyl)methyl]triazinane
SMILESFc1ccc(CN2CCCNN2)cc1
InChIInChI=1S/C10H14FN3/c11-10-4-2-9(3-5-10)8-14-7-1-6-12-13-14/h2-5,12-13H,1,6-8H2
InChIKeyLOWZZVHGRYLYAS-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.04
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]triazinane

1-[(4-fluorophenyl)methyl]triazinane (PubChem CID 174675035) has the molecular formula C10H14FN3 and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]triazinane.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]triazinane
PubChem CID174675035
Molecular FormulaC10H14FN3
Molecular Weight195.24 g/mol
Exact Mass195.12
IUPAC Name1-[(4-fluorophenyl)methyl]triazinane
SMILESFc1ccc(CN2CCCNN2)cc1
InChIInChI=1S/C10H14FN3/c11-10-4-2-9(3-5-10)8-14-7-1-6-12-13-14/h2-5,12-13H,1,6-8H2
InChIKeyLOWZZVHGRYLYAS-UHFFFAOYSA-N
XLogP1.04
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
11-[[4-(1,4,7,11-tetrazacyclotetradec-11-ylmethyl)phenyl]methyl]-1,4,7,11-tetrazacyclotetradecane;octahydrobromide
CID 142646286
3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 64870330
3-ethyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 64870904
1-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 87015648
(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724346
2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane
CID 91111605
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
(3R)-1-[(4-fluorophenyl)methyl]-3-iodopiperazine
CID 89108176
(5S)-2-[(4-fluorophenyl)methyl]-2,6-diazaspiro[4.5]decane
CID 97305383
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]triazinane?
The IUPAC name of 1-[(4-fluorophenyl)methyl]triazinane (CID 174675035) is 1-[(4-fluorophenyl)methyl]triazinane.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]triazinane?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]triazinane is Fc1ccc(CN2CCCNN2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]triazinane?
The InChIKey is LOWZZVHGRYLYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3/c11-10-4-2-9(3-5-10)8-14-7-1-6-12-13-14/h2-5,12-13H,1,6-8H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]triazinane?
1-[(4-fluorophenyl)methyl]triazinane has a molecular weight of 195.24 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]triazinane is sourced from PubChem (CID 174675035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).