6-(1-methylpyrazol-4-yl)pyrazine-2-carbaldehyde

C9H8N4O — CID 175460538

IUPAC6-(1-methylpyrazol-4-yl)pyrazine-2-carbaldehyde
SMILESCn1cc(-c2cncc(C=O)n2)cn1
InChIInChI=1S/C9H8N4O/c1-13-5-7(2-11-13)9-4-10-3-8(6-14)12-9/h2-6H,1H3
InChIKeyWHQXMWGRTYVQEM-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.69
Rot. Bonds2

About 6-(1-methylpyrazol-4-yl)pyrazine-2-carbaldehyde

6-(1-methylpyrazol-4-yl)pyrazine-2-carbaldehyde (PubChem CID 175460538) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)pyrazine-2-carbaldehyde
PubChem CID175460538
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name6-(1-methylpyrazol-4-yl)pyrazine-2-carbaldehyde
SMILESCn1cc(-c2cncc(C=O)n2)cn1
InChIInChI=1S/C9H8N4O/c1-13-5-7(2-11-13)9-4-10-3-8(6-14)12-9/h2-6H,1H3
InChIKeyWHQXMWGRTYVQEM-UHFFFAOYSA-N
XLogP0.69
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

pyrazine-2,6-dicarbaldehyde
CID 23496663
[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
CID 122560717
2-(1-methylpyrazol-4-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine
CID 163352906
6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine-3-carbaldehyde
CID 125449429
4,5-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine
CID 163351387
N,N-dimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide
CID 110095318
2,4-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine
CID 163354789
3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide
CID 163352482
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine
CID 163352896
4-(1-methylpyrazol-4-yl)-2-methylsulfonylpyrimidine
CID 67397716
3-iodo-5-(1-methylpyrazol-4-yl)pyrazin-2-amine
CID 144824181
5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carbaldehyde
CID 175961593

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)pyrazine-2-carbaldehyde?
The IUPAC name of 6-(1-methylpyrazol-4-yl)pyrazine-2-carbaldehyde (CID 175460538) is 6-(1-methylpyrazol-4-yl)pyrazine-2-carbaldehyde.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)pyrazine-2-carbaldehyde?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)pyrazine-2-carbaldehyde is Cn1cc(-c2cncc(C=O)n2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)pyrazine-2-carbaldehyde?
The InChIKey is WHQXMWGRTYVQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-13-5-7(2-11-13)9-4-10-3-8(6-14)12-9/h2-6H,1H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)pyrazine-2-carbaldehyde?
6-(1-methylpyrazol-4-yl)pyrazine-2-carbaldehyde has a molecular weight of 188.19 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)pyrazine-2-carbaldehyde is sourced from PubChem (CID 175460538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).