N'-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide

C8H14N6 — CID 64576019

IUPACN'-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide
SMILESCC/N=C(\N)N1CCn2cnnc2C1
InChIInChI=1S/C8H14N6/c1-2-10-8(9)13-3-4-14-6-11-12-7(14)5-13/h6H,2-5H2,1H3,(H2,9,10)
InChIKeyNEQJAORSQQTXMQ-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.57
Rot. Bonds1

About N'-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide

N'-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide (PubChem CID 64576019) has the molecular formula C8H14N6 and a molecular weight of 194.24 g/mol. Its IUPAC name is N'-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide
PubChem CID64576019
Molecular FormulaC8H14N6
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC NameN'-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide
SMILESCC/N=C(\N)N1CCn2cnnc2C1
InChIInChI=1S/C8H14N6/c1-2-10-8(9)13-3-4-14-6-11-12-7(14)5-13/h6H,2-5H2,1H3,(H2,9,10)
InChIKeyNEQJAORSQQTXMQ-UHFFFAOYSA-N
XLogP-0.57
TPSA72.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
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 N'-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide?
The IUPAC name of N'-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide (CID 64576019) is N'-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide.
What is the SMILES notation for N'-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide?
The canonical SMILES for N'-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide is CC/N=C(\N)N1CCn2cnnc2C1.
What is the InChIKey of N'-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide?
The InChIKey is NEQJAORSQQTXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6/c1-2-10-8(9)13-3-4-14-6-11-12-7(14)5-13/h6H,2-5H2,1H3,(H2,9,10).
What are the key properties of N'-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide?
N'-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide has a molecular weight of 194.24 g/mol, XLogP of -0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboximidamide is sourced from PubChem (CID 64576019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).