2-cyanoguanidine;quinazoline

C10H10N6 — CID 87079296

IUPAC2-cyanoguanidine;quinazoline
SMILESN#CN=C(N)N.c1ccc2ncncc2c1
InChIInChI=1S/C8H6N2.C2H4N4/c1-2-4-8-7(3-1)5-9-6-10-8;3-1-6-2(4)5/h1-6H;(H4,4,5,6)
InChIKeyNLOXRPPOJQEJCL-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.37
Rot. Bonds

About 2-cyanoguanidine;quinazoline

2-cyanoguanidine;quinazoline (PubChem CID 87079296) has the molecular formula C10H10N6 and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-cyanoguanidine;quinazoline.

Molecular Properties

Compound Name2-cyanoguanidine;quinazoline
PubChem CID87079296
Molecular FormulaC10H10N6
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name2-cyanoguanidine;quinazoline
SMILESN#CN=C(N)N.c1ccc2ncncc2c1
InChIInChI=1S/C8H6N2.C2H4N4/c1-2-4-8-7(3-1)5-9-6-10-8;3-1-6-2(4)5/h1-6H;(H4,4,5,6)
InChIKeyNLOXRPPOJQEJCL-UHFFFAOYSA-N
XLogP0.37
TPSA113.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.37
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-cyanoguanidine;quinazoline?
The IUPAC name of 2-cyanoguanidine;quinazoline (CID 87079296) is 2-cyanoguanidine;quinazoline.
What is the SMILES notation for 2-cyanoguanidine;quinazoline?
The canonical SMILES for 2-cyanoguanidine;quinazoline is N#CN=C(N)N.c1ccc2ncncc2c1.
What is the InChIKey of 2-cyanoguanidine;quinazoline?
The InChIKey is NLOXRPPOJQEJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C2H4N4/c1-2-4-8-7(3-1)5-9-6-10-8;3-1-6-2(4)5/h1-6H;(H4,4,5,6).
What are the key properties of 2-cyanoguanidine;quinazoline?
2-cyanoguanidine;quinazoline has a molecular weight of 214.23 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoguanidine;quinazoline is sourced from PubChem (CID 87079296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).