N-methyl-1-(6-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine

C16H17N5 — CID 114687713

IUPACN-methyl-1-(6-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine
SMILESCNC(c1cccc(C)n1)c1cnnn1-c1ccccc1
InChIInChI=1S/C16H17N5/c1-12-7-6-10-14(19-12)16(17-2)15-11-18-20-21(15)13-8-4-3-5-9-13/h3-11,16-17H,1-2H3
InChIKeyZOHTWBIEDBQHCB-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.28
Rot. Bonds4

About N-methyl-1-(6-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine

N-methyl-1-(6-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine (PubChem CID 114687713) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-methyl-1-(6-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(6-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine
PubChem CID114687713
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-methyl-1-(6-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine
SMILESCNC(c1cccc(C)n1)c1cnnn1-c1ccccc1
InChIInChI=1S/C16H17N5/c1-12-7-6-10-14(19-12)16(17-2)15-11-18-20-21(15)13-8-4-3-5-9-13/h3-11,16-17H,1-2H3
InChIKeyZOHTWBIEDBQHCB-UHFFFAOYSA-N
XLogP2.28
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(2-methylpyrimidin-4-yl)-1-(3-phenyltriazol-4-yl)methanamine
CID 114688914
1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine
CID 114687548
N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine
CID 114687408
[(2-methylpyrimidin-4-yl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 105260678
1-(3-fluoro-2-pyridinyl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine
CID 114688838
2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 103517148
2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 105043304
1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine
CID 114688285
N-[(6-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687717
N-methyl-1-(6-methyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 63555777
N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114687716
N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687718

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(6-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine (CID 114687713) is N-methyl-1-(6-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(6-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(6-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine is CNC(c1cccc(C)n1)c1cnnn1-c1ccccc1.
What is the InChIKey of N-methyl-1-(6-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine?
The InChIKey is ZOHTWBIEDBQHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-12-7-6-10-14(19-12)16(17-2)15-11-18-20-21(15)13-8-4-3-5-9-13/h3-11,16-17H,1-2H3.
What are the key properties of N-methyl-1-(6-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine?
N-methyl-1-(6-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine has a molecular weight of 279.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 114687713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).