3-ethyl-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(naphthalen-1-ylmethyl)guanidine

C19H24N6 — CID 111978764

IUPAC3-ethyl-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(naphthalen-1-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cccc2ccccc12)N(C)Cc1ncnn1C
InChIInChI=1S/C19H24N6/c1-4-20-19(24(2)13-18-22-14-23-25(18)3)21-12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14H,4,12-13H2,1-3H3,(H,20,21)
InChIKeyGFYDOOSQYLWFOZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.57
Rot. Bonds5

About 3-ethyl-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(naphthalen-1-ylmethyl)guanidine

3-ethyl-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(naphthalen-1-ylmethyl)guanidine (PubChem CID 111978764) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(naphthalen-1-ylmethyl)guanidine.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(naphthalen-1-ylmethyl)guanidine
PubChem CID111978764
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name3-ethyl-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(naphthalen-1-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cccc2ccccc12)N(C)Cc1ncnn1C
InChIInChI=1S/C19H24N6/c1-4-20-19(24(2)13-18-22-14-23-25(18)3)21-12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14H,4,12-13H2,1-3H3,(H,20,21)
InChIKeyGFYDOOSQYLWFOZ-UHFFFAOYSA-N
XLogP2.57
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
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

3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 109407464
3-ethyl-1,1-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111705638
1-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]guanidine;hydroiodide
CID 111706330
3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111286945
3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111286944
[1-(2-methyl-1,2,4-triazol-3-yl)-3-naphthalen-1-ylpropan-2-yl]hydrazine
CID 105316461
1-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide
CID 111707164
3-ethyl-2-[[2-(hydroxymethyl)phenyl]methyl]-1-methyl-1-[(4-methylphenyl)methyl]guanidine
CID 111289831
1-benzyl-2-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-ethyl-1-methylguanidine;hydroiodide
CID 110950565
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 109421235
2-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111707069
3-ethyl-1-methyl-2-[(2-methylphenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109424283

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(naphthalen-1-ylmethyl)guanidine?
The IUPAC name of 3-ethyl-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(naphthalen-1-ylmethyl)guanidine (CID 111978764) is 3-ethyl-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(naphthalen-1-ylmethyl)guanidine.
What is the SMILES notation for 3-ethyl-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(naphthalen-1-ylmethyl)guanidine?
The canonical SMILES for 3-ethyl-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(naphthalen-1-ylmethyl)guanidine is CCN/C(=N\Cc1cccc2ccccc12)N(C)Cc1ncnn1C.
What is the InChIKey of 3-ethyl-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(naphthalen-1-ylmethyl)guanidine?
The InChIKey is GFYDOOSQYLWFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-4-20-19(24(2)13-18-22-14-23-25(18)3)21-12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14H,4,12-13H2,1-3H3,(H,20,21).
What are the key properties of 3-ethyl-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(naphthalen-1-ylmethyl)guanidine?
3-ethyl-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(naphthalen-1-ylmethyl)guanidine has a molecular weight of 336.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(naphthalen-1-ylmethyl)guanidine is sourced from PubChem (CID 111978764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).