2-(5-aminopyrazin-2-yl)acetaldehyde

C6H7N3O — CID 87417911

IUPAC2-(5-aminopyrazin-2-yl)acetaldehyde
SMILESNc1cnc(CC=O)cn1
InChIInChI=1S/C6H7N3O/c7-6-4-8-5(1-2-10)3-9-6/h2-4H,1H2,(H2,7,9)
InChIKeyRSFWRNDQYPJFMO-UHFFFAOYSA-N
MW137.14 g/mol
LogP-0.20
Rot. Bonds2

About 2-(5-aminopyrazin-2-yl)acetaldehyde

2-(5-aminopyrazin-2-yl)acetaldehyde (PubChem CID 87417911) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 2-(5-aminopyrazin-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-aminopyrazin-2-yl)acetaldehyde
PubChem CID87417911
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name2-(5-aminopyrazin-2-yl)acetaldehyde
SMILESNc1cnc(CC=O)cn1
InChIInChI=1S/C6H7N3O/c7-6-4-8-5(1-2-10)3-9-6/h2-4H,1H2,(H2,7,9)
InChIKeyRSFWRNDQYPJFMO-UHFFFAOYSA-N
XLogP-0.20
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(1,4-thiazepan-4-ylmethyl)pyrazin-2-amine
CID 103056205
5-[[methyl(pentan-2-yl)amino]methyl]pyrazin-2-amine
CID 103055697
2-(5-chloro-4-methyl-2-pyridinyl)acetaldehyde
CID 83873955
5-(propoxymethyl)pyrazin-2-amine
CID 103058721
5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyrazin-2-amine
CID 103056806
2-(2-amino-1H-imidazol-5-yl)acetaldehyde
CID 55253576
5-[[butan-2-yl(ethyl)amino]methyl]pyrazin-2-amine
CID 103055611
1-[(5-aminopyrazin-2-yl)methyl]pyrimidin-2-one
CID 103057009
5-[2-(2-methoxyethoxy)ethoxymethyl]pyrazin-2-amine
CID 103059455
5-(cyclobutyloxymethyl)pyrazin-2-amine
CID 103058850
5-(butylsulfanylmethyl)pyrazin-2-amine
CID 103059925
5-(cyclopropylmethoxymethyl)pyrazin-2-amine
CID 103058587

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminopyrazin-2-yl)acetaldehyde?
The IUPAC name of 2-(5-aminopyrazin-2-yl)acetaldehyde (CID 87417911) is 2-(5-aminopyrazin-2-yl)acetaldehyde.
What is the SMILES notation for 2-(5-aminopyrazin-2-yl)acetaldehyde?
The canonical SMILES for 2-(5-aminopyrazin-2-yl)acetaldehyde is Nc1cnc(CC=O)cn1.
What is the InChIKey of 2-(5-aminopyrazin-2-yl)acetaldehyde?
The InChIKey is RSFWRNDQYPJFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c7-6-4-8-5(1-2-10)3-9-6/h2-4H,1H2,(H2,7,9).
What are the key properties of 2-(5-aminopyrazin-2-yl)acetaldehyde?
2-(5-aminopyrazin-2-yl)acetaldehyde has a molecular weight of 137.14 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminopyrazin-2-yl)acetaldehyde is sourced from PubChem (CID 87417911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).