2-(2,6-diamino-3-cyclohexyl-2H-1,3,5-triazin-4-yl)guanidine

C10H20N8 — CID 18366387

IUPAC2-(2,6-diamino-3-cyclohexyl-2H-1,3,5-triazin-4-yl)guanidine
SMILESNC(N)=NC1=NC(N)=NC(N)N1C1CCCCC1
InChIInChI=1S/C10H20N8/c11-7(12)15-10-17-8(13)16-9(14)18(10)6-4-2-1-3-5-6/h6,9H,1-5,14H2,(H6,11,12,13,15,16,17)
InChIKeyXQOCWNRONBSGHL-UHFFFAOYSA-N
MW252.33 g/mol
LogP-1.18
Rot. Bonds1

About 2-(2,6-diamino-3-cyclohexyl-2H-1,3,5-triazin-4-yl)guanidine

2-(2,6-diamino-3-cyclohexyl-2H-1,3,5-triazin-4-yl)guanidine (PubChem CID 18366387) has the molecular formula C10H20N8 and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(2,6-diamino-3-cyclohexyl-2H-1,3,5-triazin-4-yl)guanidine.

Molecular Properties

Compound Name2-(2,6-diamino-3-cyclohexyl-2H-1,3,5-triazin-4-yl)guanidine
PubChem CID18366387
Molecular FormulaC10H20N8
Molecular Weight252.33 g/mol
Exact Mass252.18
IUPAC Name2-(2,6-diamino-3-cyclohexyl-2H-1,3,5-triazin-4-yl)guanidine
SMILESNC(N)=NC1=NC(N)=NC(N)N1C1CCCCC1
InChIInChI=1S/C10H20N8/c11-7(12)15-10-17-8(13)16-9(14)18(10)6-4-2-1-3-5-6/h6,9H,1-5,14H2,(H6,11,12,13,15,16,17)
InChIKeyXQOCWNRONBSGHL-UHFFFAOYSA-N
XLogP-1.18
TPSA144.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-(2,6-diamino-3-cyclohexyl-2H-1,3,5-triazin-4-yl)guanidine?
The IUPAC name of 2-(2,6-diamino-3-cyclohexyl-2H-1,3,5-triazin-4-yl)guanidine (CID 18366387) is 2-(2,6-diamino-3-cyclohexyl-2H-1,3,5-triazin-4-yl)guanidine.
What is the SMILES notation for 2-(2,6-diamino-3-cyclohexyl-2H-1,3,5-triazin-4-yl)guanidine?
The canonical SMILES for 2-(2,6-diamino-3-cyclohexyl-2H-1,3,5-triazin-4-yl)guanidine is NC(N)=NC1=NC(N)=NC(N)N1C1CCCCC1.
What is the InChIKey of 2-(2,6-diamino-3-cyclohexyl-2H-1,3,5-triazin-4-yl)guanidine?
The InChIKey is XQOCWNRONBSGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N8/c11-7(12)15-10-17-8(13)16-9(14)18(10)6-4-2-1-3-5-6/h6,9H,1-5,14H2,(H6,11,12,13,15,16,17).
What are the key properties of 2-(2,6-diamino-3-cyclohexyl-2H-1,3,5-triazin-4-yl)guanidine?
2-(2,6-diamino-3-cyclohexyl-2H-1,3,5-triazin-4-yl)guanidine has a molecular weight of 252.33 g/mol, XLogP of -1.18, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diamino-3-cyclohexyl-2H-1,3,5-triazin-4-yl)guanidine is sourced from PubChem (CID 18366387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).