1-tert-butyl-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine

C13H19N5 — CID 122098600

IUPAC1-tert-butyl-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine
SMILESCC(C)(C)N/C(N)=N/Cc1ccc2cncn2c1
InChIInChI=1S/C13H19N5/c1-13(2,3)17-12(14)16-6-10-4-5-11-7-15-9-18(11)8-10/h4-5,7-9H,6H2,1-3H3,(H3,14,16,17)
InChIKeyFJKHYIXDRMYGHD-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.54
Rot. Bonds2

About 1-tert-butyl-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine

1-tert-butyl-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine (PubChem CID 122098600) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-tert-butyl-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine
PubChem CID122098600
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-tert-butyl-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine
SMILESCC(C)(C)N/C(N)=N/Cc1ccc2cncn2c1
InChIInChI=1S/C13H19N5/c1-13(2,3)17-12(14)16-6-10-4-5-11-7-15-9-18(11)8-10/h4-5,7-9H,6H2,1-3H3,(H3,14,16,17)
InChIKeyFJKHYIXDRMYGHD-UHFFFAOYSA-N
XLogP1.54
TPSA67.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(4-butan-2-ylphenyl)-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine
CID 122098596
1-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 62362450
1-tert-butyl-2-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 110912100
1-tert-butyl-2-[[4-[(dimethylamino)methyl]phenyl]methyl]guanidine
CID 111034041
2-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-tert-butylguanidine
CID 111049192
1-tert-butyl-2-[(4-nitrophenyl)methyl]guanidine
CID 62363744
1-tert-butyl-2-[(3-chlorophenyl)methyl]guanidine
CID 62531902
1-tert-butyl-2-[[4-(methylsulfamoyl)phenyl]methyl]guanidine
CID 111046400
1-tert-butyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 119118388
1-tert-butyl-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine
CID 111054263
1-tert-butyl-2-[(3-hydroxy-4-methoxyphenyl)methyl]guanidine
CID 111052042
N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]acetamide
CID 111044874

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine?
The IUPAC name of 1-tert-butyl-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine (CID 122098600) is 1-tert-butyl-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine.
What is the SMILES notation for 1-tert-butyl-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine?
The canonical SMILES for 1-tert-butyl-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine is CC(C)(C)N/C(N)=N/Cc1ccc2cncn2c1.
What is the InChIKey of 1-tert-butyl-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine?
The InChIKey is FJKHYIXDRMYGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-13(2,3)17-12(14)16-6-10-4-5-11-7-15-9-18(11)8-10/h4-5,7-9H,6H2,1-3H3,(H3,14,16,17).
What are the key properties of 1-tert-butyl-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine?
1-tert-butyl-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine has a molecular weight of 245.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(imidazo[1,5-a]pyridin-6-ylmethyl)guanidine is sourced from PubChem (CID 122098600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).