N'-tert-butylpyrazine-2-carboximidamide

C9H14N4 — CID 63181941

IUPACN'-tert-butylpyrazine-2-carboximidamide
SMILESCC(C)(C)/N=C(\N)c1cnccn1
InChIInChI=1S/C9H14N4/c1-9(2,3)13-8(10)7-6-11-4-5-12-7/h4-6H,1-3H3,(H2,10,13)
InChIKeyPPSSPSADKANEPZ-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.98
Rot. Bonds1

About N'-tert-butylpyrazine-2-carboximidamide

N'-tert-butylpyrazine-2-carboximidamide (PubChem CID 63181941) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is N'-tert-butylpyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-tert-butylpyrazine-2-carboximidamide
PubChem CID63181941
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC NameN'-tert-butylpyrazine-2-carboximidamide
SMILESCC(C)(C)/N=C(\N)c1cnccn1
InChIInChI=1S/C9H14N4/c1-9(2,3)13-8(10)7-6-11-4-5-12-7/h4-6H,1-3H3,(H2,10,13)
InChIKeyPPSSPSADKANEPZ-UHFFFAOYSA-N
XLogP0.98
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-tert-butylpyrazine-2-carboximidamide?
The IUPAC name of N'-tert-butylpyrazine-2-carboximidamide (CID 63181941) is N'-tert-butylpyrazine-2-carboximidamide.
What is the SMILES notation for N'-tert-butylpyrazine-2-carboximidamide?
The canonical SMILES for N'-tert-butylpyrazine-2-carboximidamide is CC(C)(C)/N=C(\N)c1cnccn1.
What is the InChIKey of N'-tert-butylpyrazine-2-carboximidamide?
The InChIKey is PPSSPSADKANEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-9(2,3)13-8(10)7-6-11-4-5-12-7/h4-6H,1-3H3,(H2,10,13).
What are the key properties of N'-tert-butylpyrazine-2-carboximidamide?
N'-tert-butylpyrazine-2-carboximidamide has a molecular weight of 178.24 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butylpyrazine-2-carboximidamide is sourced from PubChem (CID 63181941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).