5-bromo-4-N-[2-(triazol-1-yl)ethyl]pyridine-3,4-diamine

C9H11BrN6 — CID 103518447

IUPAC5-bromo-4-N-[2-(triazol-1-yl)ethyl]pyridine-3,4-diamine
SMILESNc1cncc(Br)c1NCCn1ccnn1
InChIInChI=1S/C9H11BrN6/c10-7-5-12-6-8(11)9(7)13-1-3-16-4-2-14-15-16/h2,4-6H,1,3,11H2,(H,12,13)
InChIKeyRKIOQDIAYKUREE-UHFFFAOYSA-N
MW283.13 g/mol
LogP1.13
Rot. Bonds4

About 5-bromo-4-N-[2-(triazol-1-yl)ethyl]pyridine-3,4-diamine

5-bromo-4-N-[2-(triazol-1-yl)ethyl]pyridine-3,4-diamine (PubChem CID 103518447) has the molecular formula C9H11BrN6 and a molecular weight of 283.13 g/mol. Its IUPAC name is 5-bromo-4-N-[2-(triazol-1-yl)ethyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[2-(triazol-1-yl)ethyl]pyridine-3,4-diamine
PubChem CID103518447
Molecular FormulaC9H11BrN6
Molecular Weight283.13 g/mol
Exact Mass282.02
IUPAC Name5-bromo-4-N-[2-(triazol-1-yl)ethyl]pyridine-3,4-diamine
SMILESNc1cncc(Br)c1NCCn1ccnn1
InChIInChI=1S/C9H11BrN6/c10-7-5-12-6-8(11)9(7)13-1-3-16-4-2-14-15-16/h2,4-6H,1,3,11H2,(H,12,13)
InChIKeyRKIOQDIAYKUREE-UHFFFAOYSA-N
XLogP1.13
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[2-(triazol-1-yl)ethyl]pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-[2-(triazol-1-yl)ethyl]pyridine-3,4-diamine (CID 103518447) is 5-bromo-4-N-[2-(triazol-1-yl)ethyl]pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[2-(triazol-1-yl)ethyl]pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-[2-(triazol-1-yl)ethyl]pyridine-3,4-diamine is Nc1cncc(Br)c1NCCn1ccnn1.
What is the InChIKey of 5-bromo-4-N-[2-(triazol-1-yl)ethyl]pyridine-3,4-diamine?
The InChIKey is RKIOQDIAYKUREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN6/c10-7-5-12-6-8(11)9(7)13-1-3-16-4-2-14-15-16/h2,4-6H,1,3,11H2,(H,12,13).
What are the key properties of 5-bromo-4-N-[2-(triazol-1-yl)ethyl]pyridine-3,4-diamine?
5-bromo-4-N-[2-(triazol-1-yl)ethyl]pyridine-3,4-diamine has a molecular weight of 283.13 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[2-(triazol-1-yl)ethyl]pyridine-3,4-diamine is sourced from PubChem (CID 103518447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).