2-methyl-1-(1-naphthalen-2-ylethyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine

C22H24N6 — CID 111321796

IUPAC2-methyl-1-(1-naphthalen-2-ylethyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
SMILESC/N=C(\NCCc1nnc2ccccn12)NC(C)c1ccc2ccccc2c1
InChIInChI=1S/C22H24N6/c1-16(18-11-10-17-7-3-4-8-19(17)15-18)25-22(23-2)24-13-12-21-27-26-20-9-5-6-14-28(20)21/h3-11,14-16H,12-13H2,1-2H3,(H2,23,24,25)
InChIKeyGJZATUKQQASXAM-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.35
Rot. Bonds5

About 2-methyl-1-(1-naphthalen-2-ylethyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine

2-methyl-1-(1-naphthalen-2-ylethyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine (PubChem CID 111321796) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is 2-methyl-1-(1-naphthalen-2-ylethyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-(1-naphthalen-2-ylethyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
PubChem CID111321796
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC Name2-methyl-1-(1-naphthalen-2-ylethyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
SMILESC/N=C(\NCCc1nnc2ccccn12)NC(C)c1ccc2ccccc2c1
InChIInChI=1S/C22H24N6/c1-16(18-11-10-17-7-3-4-8-19(17)15-18)25-22(23-2)24-13-12-21-27-26-20-9-5-6-14-28(20)21/h3-11,14-16H,12-13H2,1-2H3,(H2,23,24,25)
InChIKeyGJZATUKQQASXAM-UHFFFAOYSA-N
XLogP3.35
TPSA66.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-propan-2-yl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111125756
2-methyl-1-(3-phenylbutan-2-yl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111989361
1-[1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111378388
1-[3-(4-methoxyphenyl)butyl]-2-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine;hydroiodide
CID 111641141
2-methyl-1-[2-(4-methylphenyl)propyl]-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111622032
2-methyl-1-(2-phenylsulfanylethyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine;hydroiodide
CID 111373688
2-methyl-1-(naphthalen-2-ylmethyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111013378
2-methyl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109474651
2-methyl-1-(6-methylheptan-2-yl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine;hydroiodide
CID 111761664
2-methyl-1-[3-(4-propan-2-ylphenyl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111549518
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111229247
1-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111308758

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-naphthalen-2-ylethyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine?
The IUPAC name of 2-methyl-1-(1-naphthalen-2-ylethyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine (CID 111321796) is 2-methyl-1-(1-naphthalen-2-ylethyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine.
What is the SMILES notation for 2-methyl-1-(1-naphthalen-2-ylethyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine?
The canonical SMILES for 2-methyl-1-(1-naphthalen-2-ylethyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine is C/N=C(\NCCc1nnc2ccccn12)NC(C)c1ccc2ccccc2c1.
What is the InChIKey of 2-methyl-1-(1-naphthalen-2-ylethyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine?
The InChIKey is GJZATUKQQASXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6/c1-16(18-11-10-17-7-3-4-8-19(17)15-18)25-22(23-2)24-13-12-21-27-26-20-9-5-6-14-28(20)21/h3-11,14-16H,12-13H2,1-2H3,(H2,23,24,25).
What are the key properties of 2-methyl-1-(1-naphthalen-2-ylethyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine?
2-methyl-1-(1-naphthalen-2-ylethyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine has a molecular weight of 372.48 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-naphthalen-2-ylethyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine is sourced from PubChem (CID 111321796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).