3-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine

C9H10BrN5 — CID 64530464

IUPAC3-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
SMILESBrc1cccnc1NCCc1ncn[nH]1
InChIInChI=1S/C9H10BrN5/c10-7-2-1-4-11-9(7)12-5-3-8-13-6-14-15-8/h1-2,4,6H,3,5H2,(H,11,12)(H,13,14,15)
InChIKeyTUBQZGRVYXSLDF-UHFFFAOYSA-N
MW268.12 g/mol
LogP1.62
Rot. Bonds4

About 3-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine

3-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine (PubChem CID 64530464) has the molecular formula C9H10BrN5 and a molecular weight of 268.12 g/mol. Its IUPAC name is 3-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
PubChem CID64530464
Molecular FormulaC9H10BrN5
Molecular Weight268.12 g/mol
Exact Mass267.01
IUPAC Name3-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
SMILESBrc1cccnc1NCCc1ncn[nH]1
InChIInChI=1S/C9H10BrN5/c10-7-2-1-4-11-9(7)12-5-3-8-13-6-14-15-8/h1-2,4,6H,3,5H2,(H,11,12)(H,13,14,15)
InChIKeyTUBQZGRVYXSLDF-UHFFFAOYSA-N
XLogP1.62
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazin-2-amine
CID 106195203
2-[(3-bromo-2-pyridinyl)amino]ethanol
CID 61374645
2-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-3-carboxamide
CID 64530064
3-bromo-N-(3-chloropropyl)pyridin-2-amine
CID 65029830
1-[2-(1H-1,2,4-triazol-5-yl)ethylamino]isoquinolin-7-ol
CID 106538776
3-bromo-N-(4-chlorobutyl)pyridin-2-amine
CID 86240809
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline
CID 61360611
3-bromo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine
CID 61375619
3-bromo-N-(2-thiophen-3-ylethyl)pyridin-2-amine
CID 61474378
N'-(3-bromo-2-pyridinyl)hexane-1,6-diamine
CID 107845203
3-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazine-2,3-diamine
CID 102984527
N'-(3-bromo-2-pyridinyl)-N-cyclopropylethane-1,2-diamine
CID 62664309

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine (CID 64530464) is 3-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine is Brc1cccnc1NCCc1ncn[nH]1.
What is the InChIKey of 3-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
The InChIKey is TUBQZGRVYXSLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5/c10-7-2-1-4-11-9(7)12-5-3-8-13-6-14-15-8/h1-2,4,6H,3,5H2,(H,11,12)(H,13,14,15).
What are the key properties of 3-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
3-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine has a molecular weight of 268.12 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 64530464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).