1-cyano-2-methyl-3-[2-[methyl-(5-methyl-1H-pyrazol-3-yl)amino]ethyl]guanidine

C10H17N7 — CID 54435297

IUPAC1-cyano-2-methyl-3-[2-[methyl-(5-methyl-1H-pyrazol-3-yl)amino]ethyl]guanidine
SMILESC/N=C(\NC#N)NCCN(C)c1cc(C)[nH]n1
InChIInChI=1S/C10H17N7/c1-8-6-9(16-15-8)17(3)5-4-13-10(12-2)14-7-11/h6H,4-5H2,1-3H3,(H,15,16)(H2,12,13,14)
InChIKeyWKHOXBWJRABOCZ-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.20
Rot. Bonds4

About 1-cyano-2-methyl-3-[2-[methyl-(5-methyl-1H-pyrazol-3-yl)amino]ethyl]guanidine

1-cyano-2-methyl-3-[2-[methyl-(5-methyl-1H-pyrazol-3-yl)amino]ethyl]guanidine (PubChem CID 54435297) has the molecular formula C10H17N7 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-cyano-2-methyl-3-[2-[methyl-(5-methyl-1H-pyrazol-3-yl)amino]ethyl]guanidine.

Molecular Properties

Compound Name1-cyano-2-methyl-3-[2-[methyl-(5-methyl-1H-pyrazol-3-yl)amino]ethyl]guanidine
PubChem CID54435297
Molecular FormulaC10H17N7
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name1-cyano-2-methyl-3-[2-[methyl-(5-methyl-1H-pyrazol-3-yl)amino]ethyl]guanidine
SMILESC/N=C(\NC#N)NCCN(C)c1cc(C)[nH]n1
InChIInChI=1S/C10H17N7/c1-8-6-9(16-15-8)17(3)5-4-13-10(12-2)14-7-11/h6H,4-5H2,1-3H3,(H,15,16)(H2,12,13,14)
InChIKeyWKHOXBWJRABOCZ-UHFFFAOYSA-N
XLogP-0.20
TPSA92.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[methyl-(5-methyl-1H-pyrazol-3-yl)amino]ethyl]guanidine?
The IUPAC name of 1-cyano-2-methyl-3-[2-[methyl-(5-methyl-1H-pyrazol-3-yl)amino]ethyl]guanidine (CID 54435297) is 1-cyano-2-methyl-3-[2-[methyl-(5-methyl-1H-pyrazol-3-yl)amino]ethyl]guanidine.
What is the SMILES notation for 1-cyano-2-methyl-3-[2-[methyl-(5-methyl-1H-pyrazol-3-yl)amino]ethyl]guanidine?
The canonical SMILES for 1-cyano-2-methyl-3-[2-[methyl-(5-methyl-1H-pyrazol-3-yl)amino]ethyl]guanidine is C/N=C(\NC#N)NCCN(C)c1cc(C)[nH]n1.
What is the InChIKey of 1-cyano-2-methyl-3-[2-[methyl-(5-methyl-1H-pyrazol-3-yl)amino]ethyl]guanidine?
The InChIKey is WKHOXBWJRABOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7/c1-8-6-9(16-15-8)17(3)5-4-13-10(12-2)14-7-11/h6H,4-5H2,1-3H3,(H,15,16)(H2,12,13,14).
What are the key properties of 1-cyano-2-methyl-3-[2-[methyl-(5-methyl-1H-pyrazol-3-yl)amino]ethyl]guanidine?
1-cyano-2-methyl-3-[2-[methyl-(5-methyl-1H-pyrazol-3-yl)amino]ethyl]guanidine has a molecular weight of 235.29 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-methyl-3-[2-[methyl-(5-methyl-1H-pyrazol-3-yl)amino]ethyl]guanidine is sourced from PubChem (CID 54435297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).