N-methyl-1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanamine

C16H17N5 — CID 114687507

IUPACN-methyl-1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanamine
SMILESCNC(Cc1ccncc1)c1cnnn1-c1ccccc1
InChIInChI=1S/C16H17N5/c1-17-15(11-13-7-9-18-10-8-13)16-12-19-20-21(16)14-5-3-2-4-6-14/h2-10,12,15,17H,11H2,1H3
InChIKeyHEECUBSDWKEABT-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.17
Rot. Bonds5

About N-methyl-1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanamine

N-methyl-1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanamine (PubChem CID 114687507) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-methyl-1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanamine
PubChem CID114687507
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-methyl-1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanamine
SMILESCNC(Cc1ccncc1)c1cnnn1-c1ccccc1
InChIInChI=1S/C16H17N5/c1-17-15(11-13-7-9-18-10-8-13)16-12-19-20-21(16)14-5-3-2-4-6-14/h2-10,12,15,17H,11H2,1H3
InChIKeyHEECUBSDWKEABT-UHFFFAOYSA-N
XLogP2.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanol
CID 114686391
N-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine
CID 105184360
N-methyl-2-(oxolan-3-yl)-1-(3-phenyltriazol-4-yl)ethanamine
CID 114689023
2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 103517148
1-(3-phenyltriazol-4-yl)butylhydrazine
CID 105202328
N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687204
N-methyl-2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine
CID 114687122
2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 105043304
[1-(3-phenyltriazol-4-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105200047
2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686314
N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687752
N-methyl-2-pyridin-4-yl-1-thiophen-2-ylethanamine
CID 62552109

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanamine?
The IUPAC name of N-methyl-1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanamine (CID 114687507) is N-methyl-1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-methyl-1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanamine?
The canonical SMILES for N-methyl-1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanamine is CNC(Cc1ccncc1)c1cnnn1-c1ccccc1.
What is the InChIKey of N-methyl-1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanamine?
The InChIKey is HEECUBSDWKEABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-17-15(11-13-7-9-18-10-8-13)16-12-19-20-21(16)14-5-3-2-4-6-14/h2-10,12,15,17H,11H2,1H3.
What are the key properties of N-methyl-1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanamine?
N-methyl-1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanamine has a molecular weight of 279.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanamine is sourced from PubChem (CID 114687507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).