2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine

C13H15N5 — CID 62848306

IUPAC2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine
SMILESCc1cnc(C/N=C(\N)Nc2ccccc2)cn1
InChIInChI=1S/C13H15N5/c1-10-7-16-12(8-15-10)9-17-13(14)18-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H3,14,17,18)
InChIKeyQEYJWDUKTFLQLU-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.71
Rot. Bonds3

About 2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine

2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine (PubChem CID 62848306) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine
PubChem CID62848306
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine
SMILESCc1cnc(C/N=C(\N)Nc2ccccc2)cn1
InChIInChI=1S/C13H15N5/c1-10-7-16-12(8-15-10)9-17-13(14)18-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H3,14,17,18)
InChIKeyQEYJWDUKTFLQLU-UHFFFAOYSA-N
XLogP1.71
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.71
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-amino-2-[(5-methylpyrazin-2-yl)methyl]-3-phenylguanidine
CID 116511182
1-phenyl-2-(pyridin-2-ylmethyl)guanidine
CID 62072214
2-[(5-methylpyrazin-2-yl)methyl]-1-propylguanidine
CID 62846130
2-benzyl-1-phenylguanidine
CID 12910062
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-phenylguanidine;hydroiodide
CID 110917067
2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylguanidine
CID 111498146
2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine
CID 103696932
1-phenyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 110927486
1-phenyl-2-(pyridin-4-ylmethyl)guanidine
CID 62364718
1-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580606
2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylguanidine;hydroiodide
CID 110927510
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylguanidine
CID 78989909

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine?
The IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine (CID 62848306) is 2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine.
What is the SMILES notation for 2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine?
The canonical SMILES for 2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine is Cc1cnc(C/N=C(\N)Nc2ccccc2)cn1.
What is the InChIKey of 2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine?
The InChIKey is QEYJWDUKTFLQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-10-7-16-12(8-15-10)9-17-13(14)18-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H3,14,17,18).
What are the key properties of 2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine?
2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine has a molecular weight of 241.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine is sourced from PubChem (CID 62848306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).