2-(triazin-4-yl)guanidine

C4H6N6 — CID 68866390

IUPAC2-(triazin-4-yl)guanidine
SMILESNC(N)=Nc1ccnnn1
InChIInChI=1S/C4H6N6/c5-4(6)8-3-1-2-7-10-9-3/h1-2H,(H4,5,6,7,8,9)
InChIKeyRSFWWFPNORYPRM-UHFFFAOYSA-N
MW138.13 g/mol
LogP-1.22
Rot. Bonds1

About 2-(triazin-4-yl)guanidine

2-(triazin-4-yl)guanidine (PubChem CID 68866390) has the molecular formula C4H6N6 and a molecular weight of 138.13 g/mol. Its IUPAC name is 2-(triazin-4-yl)guanidine.

Molecular Properties

Compound Name2-(triazin-4-yl)guanidine
PubChem CID68866390
Molecular FormulaC4H6N6
Molecular Weight138.13 g/mol
Exact Mass138.07
IUPAC Name2-(triazin-4-yl)guanidine
SMILESNC(N)=Nc1ccnnn1
InChIInChI=1S/C4H6N6/c5-4(6)8-3-1-2-7-10-9-3/h1-2H,(H4,5,6,7,8,9)
InChIKeyRSFWWFPNORYPRM-UHFFFAOYSA-N
XLogP-1.22
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(triazin-4-yl)guanidine?
The IUPAC name of 2-(triazin-4-yl)guanidine (CID 68866390) is 2-(triazin-4-yl)guanidine.
What is the SMILES notation for 2-(triazin-4-yl)guanidine?
The canonical SMILES for 2-(triazin-4-yl)guanidine is NC(N)=Nc1ccnnn1.
What is the InChIKey of 2-(triazin-4-yl)guanidine?
The InChIKey is RSFWWFPNORYPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N6/c5-4(6)8-3-1-2-7-10-9-3/h1-2H,(H4,5,6,7,8,9).
What are the key properties of 2-(triazin-4-yl)guanidine?
2-(triazin-4-yl)guanidine has a molecular weight of 138.13 g/mol, XLogP of -1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazin-4-yl)guanidine is sourced from PubChem (CID 68866390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).