2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N'-hydroxypentanimidamide

C11H18N6O2 — CID 77047426

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N'-hydroxypentanimidamide
SMILESCCCC(C(=O)N1CCn2cnnc2C1)C(N)=NO
InChIInChI=1S/C11H18N6O2/c1-2-3-8(10(12)15-19)11(18)16-4-5-17-7-13-14-9(17)6-16/h7-8,19H,2-6H2,1H3,(H2,12,15)
InChIKeyMJDXFLUTOZSKCO-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.22
Rot. Bonds4

About 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N'-hydroxypentanimidamide

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N'-hydroxypentanimidamide (PubChem CID 77047426) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N'-hydroxypentanimidamide
PubChem CID77047426
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N'-hydroxypentanimidamide
SMILESCCCC(C(=O)N1CCn2cnnc2C1)C(N)=NO
InChIInChI=1S/C11H18N6O2/c1-2-3-8(10(12)15-19)11(18)16-4-5-17-7-13-14-9(17)6-16/h7-8,19H,2-6H2,1H3,(H2,12,15)
InChIKeyMJDXFLUTOZSKCO-UHFFFAOYSA-N
XLogP-0.22
TPSA109.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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]pyrazine-7-carbonyl)-N'-hydroxypentanimidamide?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N'-hydroxypentanimidamide (CID 77047426) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N'-hydroxypentanimidamide.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N'-hydroxypentanimidamide?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N'-hydroxypentanimidamide is CCCC(C(=O)N1CCn2cnnc2C1)C(N)=NO.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N'-hydroxypentanimidamide?
The InChIKey is MJDXFLUTOZSKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-2-3-8(10(12)15-19)11(18)16-4-5-17-7-13-14-9(17)6-16/h7-8,19H,2-6H2,1H3,(H2,12,15).
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N'-hydroxypentanimidamide?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N'-hydroxypentanimidamide has a molecular weight of 266.30 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N'-hydroxypentanimidamide is sourced from PubChem (CID 77047426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).