N-benzyl-N-(2-bromoethyl)pyrido[2,3-b]pyrazin-6-amine

C16H15BrN4 — CID 80674401

IUPACN-benzyl-N-(2-bromoethyl)pyrido[2,3-b]pyrazin-6-amine
SMILESBrCCN(Cc1ccccc1)c1ccc2nccnc2n1
InChIInChI=1S/C16H15BrN4/c17-8-11-21(12-13-4-2-1-3-5-13)15-7-6-14-16(20-15)19-10-9-18-14/h1-7,9-10H,8,11-12H2
InChIKeyCTBUAGNLSWKZBN-UHFFFAOYSA-N
MW343.23 g/mol
LogP3.43
Rot. Bonds5

About N-benzyl-N-(2-bromoethyl)pyrido[2,3-b]pyrazin-6-amine

N-benzyl-N-(2-bromoethyl)pyrido[2,3-b]pyrazin-6-amine (PubChem CID 80674401) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is N-benzyl-N-(2-bromoethyl)pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-benzyl-N-(2-bromoethyl)pyrido[2,3-b]pyrazin-6-amine
PubChem CID80674401
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC NameN-benzyl-N-(2-bromoethyl)pyrido[2,3-b]pyrazin-6-amine
SMILESBrCCN(Cc1ccccc1)c1ccc2nccnc2n1
InChIInChI=1S/C16H15BrN4/c17-8-11-21(12-13-4-2-1-3-5-13)15-7-6-14-16(20-15)19-10-9-18-14/h1-7,9-10H,8,11-12H2
InChIKeyCTBUAGNLSWKZBN-UHFFFAOYSA-N
XLogP3.43
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-bromoethyl)pyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-benzyl-N-(2-bromoethyl)pyrido[2,3-b]pyrazin-6-amine (CID 80674401) is N-benzyl-N-(2-bromoethyl)pyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-benzyl-N-(2-bromoethyl)pyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-benzyl-N-(2-bromoethyl)pyrido[2,3-b]pyrazin-6-amine is BrCCN(Cc1ccccc1)c1ccc2nccnc2n1.
What is the InChIKey of N-benzyl-N-(2-bromoethyl)pyrido[2,3-b]pyrazin-6-amine?
The InChIKey is CTBUAGNLSWKZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c17-8-11-21(12-13-4-2-1-3-5-13)15-7-6-14-16(20-15)19-10-9-18-14/h1-7,9-10H,8,11-12H2.
What are the key properties of N-benzyl-N-(2-bromoethyl)pyrido[2,3-b]pyrazin-6-amine?
N-benzyl-N-(2-bromoethyl)pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 343.23 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-bromoethyl)pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 80674401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).