1-cyano-2-methyl-3-[2-[(3-methylpyrazin-2-yl)methylamino]ethyl]guanidine

C11H17N7 — CID 56994018

IUPAC1-cyano-2-methyl-3-[2-[(3-methylpyrazin-2-yl)methylamino]ethyl]guanidine
SMILESC/N=C(\NC#N)NCCNCc1nccnc1C
InChIInChI=1S/C11H17N7/c1-9-10(16-6-5-15-9)7-14-3-4-17-11(13-2)18-8-12/h5-6,14H,3-4,7H2,1-2H3,(H2,13,17,18)
InChIKeyHNKWIKMZUGUOBH-UHFFFAOYSA-N
MW247.31 g/mol
LogP-0.48
Rot. Bonds5

About 1-cyano-2-methyl-3-[2-[(3-methylpyrazin-2-yl)methylamino]ethyl]guanidine

1-cyano-2-methyl-3-[2-[(3-methylpyrazin-2-yl)methylamino]ethyl]guanidine (PubChem CID 56994018) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is 1-cyano-2-methyl-3-[2-[(3-methylpyrazin-2-yl)methylamino]ethyl]guanidine.

Molecular Properties

Compound Name1-cyano-2-methyl-3-[2-[(3-methylpyrazin-2-yl)methylamino]ethyl]guanidine
PubChem CID56994018
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name1-cyano-2-methyl-3-[2-[(3-methylpyrazin-2-yl)methylamino]ethyl]guanidine
SMILESC/N=C(\NC#N)NCCNCc1nccnc1C
InChIInChI=1S/C11H17N7/c1-9-10(16-6-5-15-9)7-14-3-4-17-11(13-2)18-8-12/h5-6,14H,3-4,7H2,1-2H3,(H2,13,17,18)
InChIKeyHNKWIKMZUGUOBH-UHFFFAOYSA-N
XLogP-0.48
TPSA98.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-methyl-3-[2-[(3-methylpyrazin-2-yl)methylamino]ethyl]guanidine?
The IUPAC name of 1-cyano-2-methyl-3-[2-[(3-methylpyrazin-2-yl)methylamino]ethyl]guanidine (CID 56994018) is 1-cyano-2-methyl-3-[2-[(3-methylpyrazin-2-yl)methylamino]ethyl]guanidine.
What is the SMILES notation for 1-cyano-2-methyl-3-[2-[(3-methylpyrazin-2-yl)methylamino]ethyl]guanidine?
The canonical SMILES for 1-cyano-2-methyl-3-[2-[(3-methylpyrazin-2-yl)methylamino]ethyl]guanidine is C/N=C(\NC#N)NCCNCc1nccnc1C.
What is the InChIKey of 1-cyano-2-methyl-3-[2-[(3-methylpyrazin-2-yl)methylamino]ethyl]guanidine?
The InChIKey is HNKWIKMZUGUOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-9-10(16-6-5-15-9)7-14-3-4-17-11(13-2)18-8-12/h5-6,14H,3-4,7H2,1-2H3,(H2,13,17,18).
What are the key properties of 1-cyano-2-methyl-3-[2-[(3-methylpyrazin-2-yl)methylamino]ethyl]guanidine?
1-cyano-2-methyl-3-[2-[(3-methylpyrazin-2-yl)methylamino]ethyl]guanidine has a molecular weight of 247.31 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-methyl-3-[2-[(3-methylpyrazin-2-yl)methylamino]ethyl]guanidine is sourced from PubChem (CID 56994018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).