2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanimidamide

C9H16N6 — CID 64576874

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanimidamide
SMILES[H]/N=C(\N)C(CC)N1CCn2cnnc2C1
InChIInChI=1S/C9H16N6/c1-2-7(9(10)11)14-3-4-15-6-12-13-8(15)5-14/h6-7H,2-5H2,1H3,(H3,10,11)
InChIKeyLYWWZKQOUNYCGN-UHFFFAOYSA-N
MW208.27 g/mol
LogP-0.19
Rot. Bonds3

About 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanimidamide

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanimidamide (PubChem CID 64576874) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanimidamide.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanimidamide
PubChem CID64576874
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanimidamide
SMILES[H]/N=C(\N)C(CC)N1CCn2cnnc2C1
InChIInChI=1S/C9H16N6/c1-2-7(9(10)11)14-3-4-15-6-12-13-8(15)5-14/h6-7H,2-5H2,1H3,(H3,10,11)
InChIKeyLYWWZKQOUNYCGN-UHFFFAOYSA-N
XLogP-0.19
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 5-0.19
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 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanimidamide?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanimidamide (CID 64576874) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanimidamide.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanimidamide?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanimidamide is [H]/N=C(\N)C(CC)N1CCn2cnnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanimidamide?
The InChIKey is LYWWZKQOUNYCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c1-2-7(9(10)11)14-3-4-15-6-12-13-8(15)5-14/h6-7H,2-5H2,1H3,(H3,10,11).
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanimidamide?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanimidamide has a molecular weight of 208.27 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanimidamide is sourced from PubChem (CID 64576874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).