N'-propan-2-ylpyrazine-2-carboximidamide

C8H12N4 — CID 63181346

IUPACN'-propan-2-ylpyrazine-2-carboximidamide
SMILESCC(C)/N=C(\N)c1cnccn1
InChIInChI=1S/C8H12N4/c1-6(2)12-8(9)7-5-10-3-4-11-7/h3-6H,1-2H3,(H2,9,12)
InChIKeyAGTXNDLPYDVWOO-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.59
Rot. Bonds2

About N'-propan-2-ylpyrazine-2-carboximidamide

N'-propan-2-ylpyrazine-2-carboximidamide (PubChem CID 63181346) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is N'-propan-2-ylpyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-propan-2-ylpyrazine-2-carboximidamide
PubChem CID63181346
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC NameN'-propan-2-ylpyrazine-2-carboximidamide
SMILESCC(C)/N=C(\N)c1cnccn1
InChIInChI=1S/C8H12N4/c1-6(2)12-8(9)7-5-10-3-4-11-7/h3-6H,1-2H3,(H2,9,12)
InChIKeyAGTXNDLPYDVWOO-UHFFFAOYSA-N
XLogP0.59
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.59
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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Related Compounds

N'-tert-butylpyrazine-2-carboximidamide
CID 63181941
2-amino-1-pyrazin-2-ylpropan-1-one
CID 82594837
4-methyl-N'-propan-2-ylpyridine-2-carboximidamide
CID 63839801
N'-[methyl(methylsulfonyl)amino]pyrazine-2-carboximidamide
CID 170856466
2-methyl-1-pyrazin-2-ylpropan-1-one
CID 538058
propan-2-yl pyrazine-2-carboxylate
CID 3022328
N-[(2S)-1-amino-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 130166243
N'-(1-pyridin-3-ylethylideneamino)pyrazine-2-carboximidamide
CID 3442008
N'-(4-methylphenyl)sulfonylpyrazine-2-carboximidamide
CID 170856051
[[amino(pyrazin-2-yl)methylidene]amino] 2-chloroacetate
CID 4293110
amino pyrazine-2-carboxylate
CID 67878279
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 55049875

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-ylpyrazine-2-carboximidamide?
The IUPAC name of N'-propan-2-ylpyrazine-2-carboximidamide (CID 63181346) is N'-propan-2-ylpyrazine-2-carboximidamide.
What is the SMILES notation for N'-propan-2-ylpyrazine-2-carboximidamide?
The canonical SMILES for N'-propan-2-ylpyrazine-2-carboximidamide is CC(C)/N=C(\N)c1cnccn1.
What is the InChIKey of N'-propan-2-ylpyrazine-2-carboximidamide?
The InChIKey is AGTXNDLPYDVWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-6(2)12-8(9)7-5-10-3-4-11-7/h3-6H,1-2H3,(H2,9,12).
What are the key properties of N'-propan-2-ylpyrazine-2-carboximidamide?
N'-propan-2-ylpyrazine-2-carboximidamide has a molecular weight of 164.21 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-ylpyrazine-2-carboximidamide is sourced from PubChem (CID 63181346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).