1-(4-chlorophenyl)-2-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)propan-1-amine

C17H19ClN4 — CID 166265164

IUPAC1-(4-chlorophenyl)-2-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)propan-1-amine
SMILESCC(C)C(NCc1ccn2ncnc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN4/c1-12(2)17(14-3-5-15(18)6-4-14)19-10-13-7-8-22-16(9-13)20-11-21-22/h3-9,11-12,17,19H,10H2,1-2H3
InChIKeyNNNVWXMPIQAIIK-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.87
Rot. Bonds5

About 1-(4-chlorophenyl)-2-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)propan-1-amine

1-(4-chlorophenyl)-2-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)propan-1-amine (PubChem CID 166265164) has the molecular formula C17H19ClN4 and a molecular weight of 314.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)propan-1-amine
PubChem CID166265164
Molecular FormulaC17H19ClN4
Molecular Weight314.82 g/mol
Exact Mass314.13
IUPAC Name1-(4-chlorophenyl)-2-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)propan-1-amine
SMILESCC(C)C(NCc1ccn2ncnc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN4/c1-12(2)17(14-3-5-15(18)6-4-14)19-10-13-7-8-22-16(9-13)20-11-21-22/h3-9,11-12,17,19H,10H2,1-2H3
InChIKeyNNNVWXMPIQAIIK-UHFFFAOYSA-N
XLogP3.87
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylpropan-1-amine
CID 66411722
1-(4-chlorophenyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43687623
1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-2-methylpropan-1-amine
CID 55109309
7-(1-methylsulfanylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 166676337
1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 64542283
(1R)-1-(4-chlorophenyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 81353293
5-[[[1-(4-chlorophenyl)-2-methylpropyl]amino]methyl]furan-2-carboxylic acid
CID 63316509
N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine
CID 78950390
1-(4-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43225777
7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridine
CID 164561581
(1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 28645160
(1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28645148

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-2-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)propan-1-amine (CID 166265164) is 1-(4-chlorophenyl)-2-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-2-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)propan-1-amine is CC(C)C(NCc1ccn2ncnc2c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)propan-1-amine?
The InChIKey is NNNVWXMPIQAIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4/c1-12(2)17(14-3-5-15(18)6-4-14)19-10-13-7-8-22-16(9-13)20-11-21-22/h3-9,11-12,17,19H,10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)propan-1-amine?
1-(4-chlorophenyl)-2-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)propan-1-amine has a molecular weight of 314.82 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-methyl-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)propan-1-amine is sourced from PubChem (CID 166265164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).