cyanocyanamide;guanidine

C3H6N6 — CID 87881664

IUPACcyanocyanamide;guanidine
SMILESN#CNC#N.[H]N=C(N)N
InChIInChI=1S/C2HN3.CH5N3/c3-1-5-2-4;2-1(3)4/h5H;(H5,2,3,4)
InChIKeyDRIGKIFLSJGVRR-UHFFFAOYSA-N
MW126.12 g/mol
LogP-1.62
Rot. Bonds

About cyanocyanamide;guanidine

cyanocyanamide;guanidine (PubChem CID 87881664) has the molecular formula C3H6N6 and a molecular weight of 126.12 g/mol. Its IUPAC name is cyanocyanamide;guanidine.

Molecular Properties

Compound Namecyanocyanamide;guanidine
PubChem CID87881664
Molecular FormulaC3H6N6
Molecular Weight126.12 g/mol
Exact Mass126.07
IUPAC Namecyanocyanamide;guanidine
SMILESN#CNC#N.[H]N=C(N)N
InChIInChI=1S/C2HN3.CH5N3/c3-1-5-2-4;2-1(3)4/h5H;(H5,2,3,4)
InChIKeyDRIGKIFLSJGVRR-UHFFFAOYSA-N
XLogP-1.62
TPSA135.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
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 cyanocyanamide;guanidine?
The IUPAC name of cyanocyanamide;guanidine (CID 87881664) is cyanocyanamide;guanidine.
What is the SMILES notation for cyanocyanamide;guanidine?
The canonical SMILES for cyanocyanamide;guanidine is N#CNC#N.[H]N=C(N)N.
What is the InChIKey of cyanocyanamide;guanidine?
The InChIKey is DRIGKIFLSJGVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HN3.CH5N3/c3-1-5-2-4;2-1(3)4/h5H;(H5,2,3,4).
What are the key properties of cyanocyanamide;guanidine?
cyanocyanamide;guanidine has a molecular weight of 126.12 g/mol, XLogP of -1.62, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanocyanamide;guanidine is sourced from PubChem (CID 87881664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).