1-(4,6-dimethyl-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine

C12H17N5 — CID 114269405

IUPAC1-(4,6-dimethyl-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
SMILESCNC(c1cc(C)cc(C)n1)c1cnnn1C
InChIInChI=1S/C12H17N5/c1-8-5-9(2)15-10(6-8)12(13-3)11-7-14-16-17(11)4/h5-7,12-13H,1-4H3
InChIKeyIEQYLKLBPODEKX-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.14
Rot. Bonds3

About 1-(4,6-dimethyl-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine

1-(4,6-dimethyl-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine (PubChem CID 114269405) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
PubChem CID114269405
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-(4,6-dimethyl-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
SMILESCNC(c1cc(C)cc(C)n1)c1cnnn1C
InChIInChI=1S/C12H17N5/c1-8-5-9(2)15-10(6-8)12(13-3)11-7-14-16-17(11)4/h5-7,12-13H,1-4H3
InChIKeyIEQYLKLBPODEKX-UHFFFAOYSA-N
XLogP1.14
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(3-methyltriazol-4-yl)-1-(thiadiazol-4-yl)methanamine
CID 105184460
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688577
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043561
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687189
2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687515
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043613
N-[(3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 105043354
[(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337530
N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687181
N-[(6-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687717
1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114686909
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687673

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine (CID 114269405) is 1-(4,6-dimethyl-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The canonical SMILES for 1-(4,6-dimethyl-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine is CNC(c1cc(C)cc(C)n1)c1cnnn1C.
What is the InChIKey of 1-(4,6-dimethyl-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The InChIKey is IEQYLKLBPODEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-8-5-9(2)15-10(6-8)12(13-3)11-7-14-16-17(11)4/h5-7,12-13H,1-4H3.
What are the key properties of 1-(4,6-dimethyl-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
1-(4,6-dimethyl-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine has a molecular weight of 231.30 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 114269405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).