3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]propan-1-amine

C13H17FN4 — CID 82211859

IUPAC3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]propan-1-amine
SMILESCc1c(CCCN)nnn1Cc1cccc(F)c1
InChIInChI=1S/C13H17FN4/c1-10-13(6-3-7-15)16-17-18(10)9-11-4-2-5-12(14)8-11/h2,4-5,8H,3,6-7,9,15H2,1H3
InChIKeyHBFBEEDEGGIGDR-UHFFFAOYSA-N
MW248.30 g/mol
LogP1.67
Rot. Bonds5

About 3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]propan-1-amine

3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]propan-1-amine (PubChem CID 82211859) has the molecular formula C13H17FN4 and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]propan-1-amine
PubChem CID82211859
Molecular FormulaC13H17FN4
Molecular Weight248.30 g/mol
Exact Mass248.14
IUPAC Name3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]propan-1-amine
SMILESCc1c(CCCN)nnn1Cc1cccc(F)c1
InChIInChI=1S/C13H17FN4/c1-10-13(6-3-7-15)16-17-18(10)9-11-4-2-5-12(14)8-11/h2,4-5,8H,3,6-7,9,15H2,1H3
InChIKeyHBFBEEDEGGIGDR-UHFFFAOYSA-N
XLogP1.67
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 1-[(3-fluorophenyl)methyl]-5-methyltriazole-4-carboxylate
CID 103112934
[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanamine
CID 82211840
[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methanamine
CID 63278587
[1-[(3-fluorophenyl)methyl]-5-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94946400
[5-cyclohexyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanamine
CID 82211827
1-[(3-fluorophenyl)methyl]tetrazol-5-amine
CID 79506981
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 63279067
[5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanol
CID 82211758
6-(3-fluorophenyl)hexan-1-amine
CID 95437731
5-ethylsulfonyl-3-[(3-fluorophenyl)methyl]triazol-4-amine
CID 82211853
5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonitrile
CID 54300581
[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
CID 82211803

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]propan-1-amine (CID 82211859) is 3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]propan-1-amine is Cc1c(CCCN)nnn1Cc1cccc(F)c1.
What is the InChIKey of 3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]propan-1-amine?
The InChIKey is HBFBEEDEGGIGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-10-13(6-3-7-15)16-17-18(10)9-11-4-2-5-12(14)8-11/h2,4-5,8H,3,6-7,9,15H2,1H3.
What are the key properties of 3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]propan-1-amine?
3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]propan-1-amine has a molecular weight of 248.30 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]propan-1-amine is sourced from PubChem (CID 82211859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).