1-cyano-2-methyl-3-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine

C10H15N7 — CID 54207475

IUPAC1-cyano-2-methyl-3-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine
SMILESC/N=C(\NC#N)NCCNCc1cnccn1
InChIInChI=1S/C10H15N7/c1-12-10(17-8-11)16-5-3-14-7-9-6-13-2-4-15-9/h2,4,6,14H,3,5,7H2,1H3,(H2,12,16,17)
InChIKeyPTNREWUTSODTMQ-UHFFFAOYSA-N
MW233.28 g/mol
LogP-0.79
Rot. Bonds5

About 1-cyano-2-methyl-3-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine

1-cyano-2-methyl-3-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine (PubChem CID 54207475) has the molecular formula C10H15N7 and a molecular weight of 233.28 g/mol. Its IUPAC name is 1-cyano-2-methyl-3-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine.

Molecular Properties

Compound Name1-cyano-2-methyl-3-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine
PubChem CID54207475
Molecular FormulaC10H15N7
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name1-cyano-2-methyl-3-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine
SMILESC/N=C(\NC#N)NCCNCc1cnccn1
InChIInChI=1S/C10H15N7/c1-12-10(17-8-11)16-5-3-14-7-9-6-13-2-4-15-9/h2,4,6,14H,3,5,7H2,1H3,(H2,12,16,17)
InChIKeyPTNREWUTSODTMQ-UHFFFAOYSA-N
XLogP-0.79
TPSA98.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 5-0.79
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'}

Analyze 1-cyano-2-methyl-3-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,5-dihydro-1H-imidazol-2-yl)pyrazine
CID 12843664
N-methyl-1-(pyrazin-2-yl)methanamine
CID 16762521
N,6-dimethylpyrazin-2-amine
CID 55286460
3-(Propylamino)pyrazine-2,5-dicarbonitrile
CID 57396422
1,4-Dihydropteridine
CID 45080412
2-Methyl-1,4-dihydropteridine
CID 45080413
Methyl[(5-methylpyrazin-2-yl)methyl]amine
CID 20607226
Pyrazine, 2-amidino-3-methylamino-
CID 23422086
Pteridine, 3,4-dihydro-6-methyl-
CID 45080411
3-(Isopropylamino)pyrazine-2-carbonitrile
CID 10441989
6-methyl-N-propan-2-ylpyrazin-2-amine
CID 89879689
N-ethenyl-N'-propyl-6-(trifluoromethyl)pyrazine-2-carboximidamide
CID 123489567

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-methyl-3-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine?
The IUPAC name of 1-cyano-2-methyl-3-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine (CID 54207475) is 1-cyano-2-methyl-3-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine.
What is the SMILES notation for 1-cyano-2-methyl-3-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine?
The canonical SMILES for 1-cyano-2-methyl-3-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine is C/N=C(\NC#N)NCCNCc1cnccn1.
What is the InChIKey of 1-cyano-2-methyl-3-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine?
The InChIKey is PTNREWUTSODTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7/c1-12-10(17-8-11)16-5-3-14-7-9-6-13-2-4-15-9/h2,4,6,14H,3,5,7H2,1H3,(H2,12,16,17).
What are the key properties of 1-cyano-2-methyl-3-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine?
1-cyano-2-methyl-3-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine has a molecular weight of 233.28 g/mol, XLogP of -0.79, 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-(pyrazin-2-ylmethylamino)ethyl]guanidine is sourced from PubChem (CID 54207475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).