1-(5-fluoro-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine

C10H12FN5 — CID 114688577

IUPAC1-(5-fluoro-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
SMILESCNC(c1ccc(F)cn1)c1cnnn1C
InChIInChI=1S/C10H12FN5/c1-12-10(9-6-14-15-16(9)2)8-4-3-7(11)5-13-8/h3-6,10,12H,1-2H3
InChIKeyGQJBJCWIRURNLY-UHFFFAOYSA-N
MW221.24 g/mol
LogP0.66
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine

1-(5-fluoro-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine (PubChem CID 114688577) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
PubChem CID114688577
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
SMILESCNC(c1ccc(F)cn1)c1cnnn1C
InChIInChI=1S/C10H12FN5/c1-12-10(9-6-14-15-16(9)2)8-4-3-7(11)5-13-8/h3-6,10,12H,1-2H3
InChIKeyGQJBJCWIRURNLY-UHFFFAOYSA-N
XLogP0.66
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114686909
1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712823
1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043450
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043613
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687673
1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 105395258
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 79713609
N-methyl-1-(3-methyltriazol-4-yl)-1-(thiadiazol-4-yl)methanamine
CID 105184460
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687189
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 79712824
1-(4,6-dimethyl-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114269405
1-(2,6-dimethoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043571

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine (CID 114688577) is 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine is CNC(c1ccc(F)cn1)c1cnnn1C.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The InChIKey is GQJBJCWIRURNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c1-12-10(9-6-14-15-16(9)2)8-4-3-7(11)5-13-8/h3-6,10,12H,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine has a molecular weight of 221.24 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 114688577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).