6-chloro-N-pentylpyrazin-2-amine

C9H14ClN3 — CID 22249172

IUPAC6-chloro-N-pentylpyrazin-2-amine
SMILESCCCCCNc1cncc(Cl)n1
InChIInChI=1S/C9H14ClN3/c1-2-3-4-5-12-9-7-11-6-8(10)13-9/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyJUQJZRNQHXLKHI-UHFFFAOYSA-N
MW199.69 g/mol
LogP2.73
Rot. Bonds5

About 6-chloro-N-pentylpyrazin-2-amine

6-chloro-N-pentylpyrazin-2-amine (PubChem CID 22249172) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is 6-chloro-N-pentylpyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-pentylpyrazin-2-amine
PubChem CID22249172
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC Name6-chloro-N-pentylpyrazin-2-amine
SMILESCCCCCNc1cncc(Cl)n1
InChIInChI=1S/C9H14ClN3/c1-2-3-4-5-12-9-7-11-6-8(10)13-9/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyJUQJZRNQHXLKHI-UHFFFAOYSA-N
XLogP2.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-6-(1-piperazinyl)pyrazine
CID 107992
MK-212 hydrochloride
CID 198421
2-Chloro-6-(pyrrolidin-1-yl)pyrazine
CID 26967054
2-Chloro-5-(piperazin-1-yl)pyrazine hydrochloride
CID 20361688
2-Chloro-6-(4-methylpiperidin-1-yl)pyrazine
CID 25539137
2-Chloro-6-ethylaminopyrazine
CID 26967009
6-chloro-N-methylpyrazin-2-amine
CID 26967011
3-chloro-N-methylpyrazin-2-amine
CID 51072307
2-Chloro-3-(piperazin-1-yl)pyrazine
CID 14086438
6-Chloro-N-cyclopentyl-2-pyrazinamine
CID 10104176
N-cyclopentylpyrazin-2-amine
CID 29773248
1-(6-Chloropyrazin-2-yl)azepane
CID 53408186

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-pentylpyrazin-2-amine?
The IUPAC name of 6-chloro-N-pentylpyrazin-2-amine (CID 22249172) is 6-chloro-N-pentylpyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-pentylpyrazin-2-amine?
The canonical SMILES for 6-chloro-N-pentylpyrazin-2-amine is CCCCCNc1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-pentylpyrazin-2-amine?
The InChIKey is JUQJZRNQHXLKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-2-3-4-5-12-9-7-11-6-8(10)13-9/h6-7H,2-5H2,1H3,(H,12,13).
What are the key properties of 6-chloro-N-pentylpyrazin-2-amine?
6-chloro-N-pentylpyrazin-2-amine has a molecular weight of 199.69 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-pentylpyrazin-2-amine is sourced from PubChem (CID 22249172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).