3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]butanimidamide

C10H18N6 — CID 114786494

IUPAC3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)c1nnc(C)c(C)n1
InChIInChI=1S/C10H18N6/c1-6(5-9(11)12)16(4)10-13-7(2)8(3)14-15-10/h6H,5H2,1-4H3,(H3,11,12)
InChIKeyIFEDVCGFTXLUDX-UHFFFAOYSA-N
MW222.30 g/mol
LogP0.64
Rot. Bonds4

About 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]butanimidamide

3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]butanimidamide (PubChem CID 114786494) has the molecular formula C10H18N6 and a molecular weight of 222.30 g/mol. Its IUPAC name is 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]butanimidamide.

Molecular Properties

Compound Name3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]butanimidamide
PubChem CID114786494
Molecular FormulaC10H18N6
Molecular Weight222.30 g/mol
Exact Mass222.16
IUPAC Name3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)c1nnc(C)c(C)n1
InChIInChI=1S/C10H18N6/c1-6(5-9(11)12)16(4)10-13-7(2)8(3)14-15-10/h6H,5H2,1-4H3,(H3,11,12)
InChIKeyIFEDVCGFTXLUDX-UHFFFAOYSA-N
XLogP0.64
TPSA91.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]butanimidamide?
The IUPAC name of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]butanimidamide (CID 114786494) is 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]butanimidamide.
What is the SMILES notation for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]butanimidamide?
The canonical SMILES for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]butanimidamide is [H]/N=C(\N)CC(C)N(C)c1nnc(C)c(C)n1.
What is the InChIKey of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]butanimidamide?
The InChIKey is IFEDVCGFTXLUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6/c1-6(5-9(11)12)16(4)10-13-7(2)8(3)14-15-10/h6H,5H2,1-4H3,(H3,11,12).
What are the key properties of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]butanimidamide?
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]butanimidamide has a molecular weight of 222.30 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]butanimidamide is sourced from PubChem (CID 114786494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).