5-bromo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine

C15H14BrN5 — CID 75372883

IUPAC5-bromo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine
SMILESBrc1ccc(NCc2ccccc2Cn2cncn2)nc1
InChIInChI=1S/C15H14BrN5/c16-14-5-6-15(19-8-14)18-7-12-3-1-2-4-13(12)9-21-11-17-10-20-21/h1-6,8,10-11H,7,9H2,(H,18,19)
InChIKeyNRPLTWGVGTXROS-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.10
Rot. Bonds5

About 5-bromo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine

5-bromo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine (PubChem CID 75372883) has the molecular formula C15H14BrN5 and a molecular weight of 344.22 g/mol. Its IUPAC name is 5-bromo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine
PubChem CID75372883
Molecular FormulaC15H14BrN5
Molecular Weight344.22 g/mol
Exact Mass343.04
IUPAC Name5-bromo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine
SMILESBrc1ccc(NCc2ccccc2Cn2cncn2)nc1
InChIInChI=1S/C15H14BrN5/c16-14-5-6-15(19-8-14)18-7-12-3-1-2-4-13(12)9-21-11-17-10-20-21/h1-6,8,10-11H,7,9H2,(H,18,19)
InChIKeyNRPLTWGVGTXROS-UHFFFAOYSA-N
XLogP3.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine (CID 75372883) is 5-bromo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine is Brc1ccc(NCc2ccccc2Cn2cncn2)nc1.
What is the InChIKey of 5-bromo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine?
The InChIKey is NRPLTWGVGTXROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5/c16-14-5-6-15(19-8-14)18-7-12-3-1-2-4-13(12)9-21-11-17-10-20-21/h1-6,8,10-11H,7,9H2,(H,18,19).
What are the key properties of 5-bromo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine?
5-bromo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine has a molecular weight of 344.22 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 75372883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).