2-cyano-1-(3,4-dihydropyrazol-2-yl)guanidine

C5H8N6 — CID 174873885

IUPAC2-cyano-1-(3,4-dihydropyrazol-2-yl)guanidine
SMILESN#C/N=C(\N)NN1CCC=N1
InChIInChI=1S/C5H8N6/c6-4-8-5(7)10-11-3-1-2-9-11/h2H,1,3H2,(H3,7,8,10)
InChIKeyQAKUFPDAYHRORV-UHFFFAOYSA-N
MW152.16 g/mol
LogP-1.02
Rot. Bonds1

About 2-cyano-1-(3,4-dihydropyrazol-2-yl)guanidine

2-cyano-1-(3,4-dihydropyrazol-2-yl)guanidine (PubChem CID 174873885) has the molecular formula C5H8N6 and a molecular weight of 152.16 g/mol. Its IUPAC name is 2-cyano-1-(3,4-dihydropyrazol-2-yl)guanidine.

Molecular Properties

Compound Name2-cyano-1-(3,4-dihydropyrazol-2-yl)guanidine
PubChem CID174873885
Molecular FormulaC5H8N6
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name2-cyano-1-(3,4-dihydropyrazol-2-yl)guanidine
SMILESN#C/N=C(\N)NN1CCC=N1
InChIInChI=1S/C5H8N6/c6-4-8-5(7)10-11-3-1-2-9-11/h2H,1,3H2,(H3,7,8,10)
InChIKeyQAKUFPDAYHRORV-UHFFFAOYSA-N
XLogP-1.02
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', '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 2-cyano-1-(3,4-dihydropyrazol-2-yl)guanidine?
The IUPAC name of 2-cyano-1-(3,4-dihydropyrazol-2-yl)guanidine (CID 174873885) is 2-cyano-1-(3,4-dihydropyrazol-2-yl)guanidine.
What is the SMILES notation for 2-cyano-1-(3,4-dihydropyrazol-2-yl)guanidine?
The canonical SMILES for 2-cyano-1-(3,4-dihydropyrazol-2-yl)guanidine is N#C/N=C(\N)NN1CCC=N1.
What is the InChIKey of 2-cyano-1-(3,4-dihydropyrazol-2-yl)guanidine?
The InChIKey is QAKUFPDAYHRORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6/c6-4-8-5(7)10-11-3-1-2-9-11/h2H,1,3H2,(H3,7,8,10).
What are the key properties of 2-cyano-1-(3,4-dihydropyrazol-2-yl)guanidine?
2-cyano-1-(3,4-dihydropyrazol-2-yl)guanidine has a molecular weight of 152.16 g/mol, XLogP of -1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1-(3,4-dihydropyrazol-2-yl)guanidine is sourced from PubChem (CID 174873885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).