[5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine

C10H11FN4 — CID 82207879

IUPAC[5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine
SMILESCn1nnc(CN)c1-c1cccc(F)c1
InChIInChI=1S/C10H11FN4/c1-15-10(9(6-12)13-14-15)7-3-2-4-8(11)5-7/h2-5H,6,12H2,1H3
InChIKeyPOUNGSGQKSKBOD-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.08
Rot. Bonds2

About [5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine

[5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine (PubChem CID 82207879) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is [5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine
PubChem CID82207879
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name[5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine
SMILESCn1nnc(CN)c1-c1cccc(F)c1
InChIInChI=1S/C10H11FN4/c1-15-10(9(6-12)13-14-15)7-3-2-4-8(11)5-7/h2-5H,6,12H2,1H3
InChIKeyPOUNGSGQKSKBOD-UHFFFAOYSA-N
XLogP1.08
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3,4-difluorophenyl)-1-methyltriazol-4-yl]methanamine
CID 82207937
[5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine
CID 82207885
[1-(2,4-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine
CID 82198604
[1-(3-chloro-2-methylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine
CID 94937203
[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine
CID 83819837
[1-[(3-fluorophenyl)methyl]-5-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94946400
[5-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
CID 94940092
[5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine
CID 82197137
[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanamine
CID 82211840
2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]ethanol
CID 82210098
4-ethyl-5-(3-fluorophenyl)-1-methylpyrazol-3-amine
CID 105474027
[5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine
CID 82205137

Frequently Asked Questions

What is the IUPAC name of [5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine?
The IUPAC name of [5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine (CID 82207879) is [5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine.
What is the SMILES notation for [5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine?
The canonical SMILES for [5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine is Cn1nnc(CN)c1-c1cccc(F)c1.
What is the InChIKey of [5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine?
The InChIKey is POUNGSGQKSKBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-15-10(9(6-12)13-14-15)7-3-2-4-8(11)5-7/h2-5H,6,12H2,1H3.
What are the key properties of [5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine?
[5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine has a molecular weight of 206.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine is sourced from PubChem (CID 82207879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).