6-chloro-N-(3-phenylpropyl)pyrazin-2-amine

C13H14ClN3 — CID 11608477

IUPAC6-chloro-N-(3-phenylpropyl)pyrazin-2-amine
SMILESClc1cncc(NCCCc2ccccc2)n1
InChIInChI=1S/C13H14ClN3/c14-12-9-15-10-13(17-12)16-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,16,17)
InChIKeyVFRPTRSBLYJKJI-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.17
Rot. Bonds5

About 6-chloro-N-(3-phenylpropyl)pyrazin-2-amine

6-chloro-N-(3-phenylpropyl)pyrazin-2-amine (PubChem CID 11608477) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 6-chloro-N-(3-phenylpropyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(3-phenylpropyl)pyrazin-2-amine
PubChem CID11608477
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name6-chloro-N-(3-phenylpropyl)pyrazin-2-amine
SMILESClc1cncc(NCCCc2ccccc2)n1
InChIInChI=1S/C13H14ClN3/c14-12-9-15-10-13(17-12)16-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,16,17)
InChIKeyVFRPTRSBLYJKJI-UHFFFAOYSA-N
XLogP3.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.17
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

6-chloro-N-(2-phenoxyethyl)pyrazin-2-amine
CID 11630185
N-(6-chloropyrazin-2-yl)-3-phenylpropanamide
CID 115599331
6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 103186748
N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloropyrazin-2-amine
CID 133359322
5-chloro-N-(3-phenylpropyl)pyridin-2-amine
CID 54931106
6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine
CID 47151369
6-N-methyl-2-N-(2-phenylethyl)pyrazine-2,6-diamine
CID 80778395
6-chloro-N-propylpyrazin-2-amine
CID 26370207
5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine
CID 79557504
3-N-(2,6-dichlorophenyl)-5-N-(3-phenylpropyl)-1,2,4-triazine-3,5-diamine
CID 112958531
3-chloro-N-(3-phenylpropyl)pyridin-4-amine
CID 79770520
6-chloro-N-hex-5-ynylpyrazin-2-amine
CID 103757390

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-phenylpropyl)pyrazin-2-amine?
The IUPAC name of 6-chloro-N-(3-phenylpropyl)pyrazin-2-amine (CID 11608477) is 6-chloro-N-(3-phenylpropyl)pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-(3-phenylpropyl)pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-(3-phenylpropyl)pyrazin-2-amine is Clc1cncc(NCCCc2ccccc2)n1.
What is the InChIKey of 6-chloro-N-(3-phenylpropyl)pyrazin-2-amine?
The InChIKey is VFRPTRSBLYJKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-12-9-15-10-13(17-12)16-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,16,17).
What are the key properties of 6-chloro-N-(3-phenylpropyl)pyrazin-2-amine?
6-chloro-N-(3-phenylpropyl)pyrazin-2-amine has a molecular weight of 247.73 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-phenylpropyl)pyrazin-2-amine is sourced from PubChem (CID 11608477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).