1-amino-2-[(5-methylpyrazin-2-yl)methyl]-3-phenylguanidine

C13H16N6 — CID 116511182

IUPAC1-amino-2-[(5-methylpyrazin-2-yl)methyl]-3-phenylguanidine
SMILESCc1cnc(C/N=C(\NN)Nc2ccccc2)cn1
InChIInChI=1S/C13H16N6/c1-10-7-16-12(8-15-10)9-17-13(19-14)18-11-5-3-2-4-6-11/h2-8H,9,14H2,1H3,(H2,17,18,19)
InChIKeyKCPFSTJHDKSFQH-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.22
Rot. Bonds3

About 1-amino-2-[(5-methylpyrazin-2-yl)methyl]-3-phenylguanidine

1-amino-2-[(5-methylpyrazin-2-yl)methyl]-3-phenylguanidine (PubChem CID 116511182) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-amino-2-[(5-methylpyrazin-2-yl)methyl]-3-phenylguanidine.

Molecular Properties

Compound Name1-amino-2-[(5-methylpyrazin-2-yl)methyl]-3-phenylguanidine
PubChem CID116511182
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name1-amino-2-[(5-methylpyrazin-2-yl)methyl]-3-phenylguanidine
SMILESCc1cnc(C/N=C(\NN)Nc2ccccc2)cn1
InChIInChI=1S/C13H16N6/c1-10-7-16-12(8-15-10)9-17-13(19-14)18-11-5-3-2-4-6-11/h2-8H,9,14H2,1H3,(H2,17,18,19)
InChIKeyKCPFSTJHDKSFQH-UHFFFAOYSA-N
XLogP1.22
TPSA88.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine
CID 62848306
1-amino-2-[(4-methylphenyl)methyl]-3-phenylguanidine
CID 116512555
1-amino-3-phenyl-2-propylguanidine
CID 116511382
1-amino-2-[(3-ethyl-2-pyridinyl)methyl]-3-phenylguanidine
CID 116516182
1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine
CID 116513757
1-amino-2-[(3-ethylthiophen-2-yl)methyl]-3-phenylguanidine
CID 116516017
1-amino-2-pentyl-3-phenylguanidine
CID 116511896
1-amino-2-[(2,2-dimethylcyclopropyl)methyl]-3-phenylguanidine
CID 114110145
1-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-phenylguanidine
CID 114542427
1-amino-2-(cyclopentylmethyl)-3-phenylguanidine
CID 116513181
2-[(5-methylpyrazin-2-yl)methyl]-1-propylguanidine
CID 62846130
1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine
CID 116515017

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(5-methylpyrazin-2-yl)methyl]-3-phenylguanidine?
The IUPAC name of 1-amino-2-[(5-methylpyrazin-2-yl)methyl]-3-phenylguanidine (CID 116511182) is 1-amino-2-[(5-methylpyrazin-2-yl)methyl]-3-phenylguanidine.
What is the SMILES notation for 1-amino-2-[(5-methylpyrazin-2-yl)methyl]-3-phenylguanidine?
The canonical SMILES for 1-amino-2-[(5-methylpyrazin-2-yl)methyl]-3-phenylguanidine is Cc1cnc(C/N=C(\NN)Nc2ccccc2)cn1.
What is the InChIKey of 1-amino-2-[(5-methylpyrazin-2-yl)methyl]-3-phenylguanidine?
The InChIKey is KCPFSTJHDKSFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-10-7-16-12(8-15-10)9-17-13(19-14)18-11-5-3-2-4-6-11/h2-8H,9,14H2,1H3,(H2,17,18,19).
What are the key properties of 1-amino-2-[(5-methylpyrazin-2-yl)methyl]-3-phenylguanidine?
1-amino-2-[(5-methylpyrazin-2-yl)methyl]-3-phenylguanidine has a molecular weight of 256.31 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(5-methylpyrazin-2-yl)methyl]-3-phenylguanidine is sourced from PubChem (CID 116511182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).