N-[(4-bromophenyl)methyl]pyrido[2,3-b]pyrazin-6-amine

C14H11BrN4 — CID 78948042

IUPACN-[(4-bromophenyl)methyl]pyrido[2,3-b]pyrazin-6-amine
SMILESBrc1ccc(CNc2ccc3nccnc3n2)cc1
InChIInChI=1S/C14H11BrN4/c15-11-3-1-10(2-4-11)9-18-13-6-5-12-14(19-13)17-8-7-16-12/h1-8H,9H2,(H,17,18,19)
InChIKeyOKQHGXKPEOXMET-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.40
Rot. Bonds3

About N-[(4-bromophenyl)methyl]pyrido[2,3-b]pyrazin-6-amine

N-[(4-bromophenyl)methyl]pyrido[2,3-b]pyrazin-6-amine (PubChem CID 78948042) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]pyrido[2,3-b]pyrazin-6-amine
PubChem CID78948042
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC NameN-[(4-bromophenyl)methyl]pyrido[2,3-b]pyrazin-6-amine
SMILESBrc1ccc(CNc2ccc3nccnc3n2)cc1
InChIInChI=1S/C14H11BrN4/c15-11-3-1-10(2-4-11)9-18-13-6-5-12-14(19-13)17-8-7-16-12/h1-8H,9H2,(H,17,18,19)
InChIKeyOKQHGXKPEOXMET-UHFFFAOYSA-N
XLogP3.40
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]pyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]pyrido[2,3-b]pyrazin-6-amine (CID 78948042) is N-[(4-bromophenyl)methyl]pyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]pyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]pyrido[2,3-b]pyrazin-6-amine is Brc1ccc(CNc2ccc3nccnc3n2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]pyrido[2,3-b]pyrazin-6-amine?
The InChIKey is OKQHGXKPEOXMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4/c15-11-3-1-10(2-4-11)9-18-13-6-5-12-14(19-13)17-8-7-16-12/h1-8H,9H2,(H,17,18,19).
What are the key properties of N-[(4-bromophenyl)methyl]pyrido[2,3-b]pyrazin-6-amine?
N-[(4-bromophenyl)methyl]pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 315.17 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 78948042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).