3,5-diamino-6-chloropyrazine-2-carbaldehyde

C5H5ClN4O — CID 121478493

IUPAC3,5-diamino-6-chloropyrazine-2-carbaldehyde
SMILESNc1nc(N)c(C=O)nc1Cl
InChIInChI=1S/C5H5ClN4O/c6-3-5(8)10-4(7)2(1-11)9-3/h1H,(H4,7,8,10)
InChIKeyLMSCVSJMWDSAQF-UHFFFAOYSA-N
MW172.58 g/mol
LogP0.11
Rot. Bonds1

About 3,5-diamino-6-chloropyrazine-2-carbaldehyde

3,5-diamino-6-chloropyrazine-2-carbaldehyde (PubChem CID 121478493) has the molecular formula C5H5ClN4O and a molecular weight of 172.58 g/mol. Its IUPAC name is 3,5-diamino-6-chloropyrazine-2-carbaldehyde.

Molecular Properties

Compound Name3,5-diamino-6-chloropyrazine-2-carbaldehyde
PubChem CID121478493
Molecular FormulaC5H5ClN4O
Molecular Weight172.58 g/mol
Exact Mass172.02
IUPAC Name3,5-diamino-6-chloropyrazine-2-carbaldehyde
SMILESNc1nc(N)c(C=O)nc1Cl
InChIInChI=1S/C5H5ClN4O/c6-3-5(8)10-4(7)2(1-11)9-3/h1H,(H4,7,8,10)
InChIKeyLMSCVSJMWDSAQF-UHFFFAOYSA-N
XLogP0.11
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.58
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-6-chloro-5-methylsulfanyloxypyrazine-2-carbaldehyde
CID 57154205
4-amino-3,5,6-trichloropyridine-2-carbaldehyde
CID 86070350
methyl 2-(6-amino-3-chloro-5-formylpyrazin-2-yl)sulfanylacetate
CID 13389078
3-amino-6-chloro-5-octan-3-ylsulfanylpyrazine-2-carbaldehyde
CID 57221739
2-amino-5-chloro-1,3-thiazole-4-carbaldehyde
CID 2763228
3,5-diamino-6-chloropyrazine-2-carboxamide
CID 604343
5,6-dichloro-3-methanehydrazonoylpyrazin-2-amine
CID 88724126
5,6-dichloropyrimidine-2,4-dicarbaldehyde
CID 175069673
CID 89081663
CID 89081663
6-amino-2-chloro-5-[(Z)-2-ethoxyethenyl]pyrimidine-4-carbaldehyde
CID 88854178
2-amino-5-methyl-1,3-thiazole-4-carbaldehyde
CID 45083446
2-amino-4-chloro-1,3-oxazole-5-carbaldehyde
CID 83815274

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloropyrazine-2-carbaldehyde?
The IUPAC name of 3,5-diamino-6-chloropyrazine-2-carbaldehyde (CID 121478493) is 3,5-diamino-6-chloropyrazine-2-carbaldehyde.
What is the SMILES notation for 3,5-diamino-6-chloropyrazine-2-carbaldehyde?
The canonical SMILES for 3,5-diamino-6-chloropyrazine-2-carbaldehyde is Nc1nc(N)c(C=O)nc1Cl.
What is the InChIKey of 3,5-diamino-6-chloropyrazine-2-carbaldehyde?
The InChIKey is LMSCVSJMWDSAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN4O/c6-3-5(8)10-4(7)2(1-11)9-3/h1H,(H4,7,8,10).
What are the key properties of 3,5-diamino-6-chloropyrazine-2-carbaldehyde?
3,5-diamino-6-chloropyrazine-2-carbaldehyde has a molecular weight of 172.58 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloropyrazine-2-carbaldehyde is sourced from PubChem (CID 121478493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).