8-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C12H13BrN6 — CID 80688703

IUPAC8-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCn1cc(CCNc2nc3c(Br)cccn3n2)cn1
InChIInChI=1S/C12H13BrN6/c1-18-8-9(7-15-18)4-5-14-12-16-11-10(13)3-2-6-19(11)17-12/h2-3,6-8H,4-5H2,1H3,(H,14,17)
InChIKeyGWSWKNZASWGHLH-UHFFFAOYSA-N
MW321.18 g/mol
LogP1.88
Rot. Bonds4

About 8-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 80688703) has the molecular formula C12H13BrN6 and a molecular weight of 321.18 g/mol. Its IUPAC name is 8-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID80688703
Molecular FormulaC12H13BrN6
Molecular Weight321.18 g/mol
Exact Mass320.04
IUPAC Name8-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCn1cc(CCNc2nc3c(Br)cccn3n2)cn1
InChIInChI=1S/C12H13BrN6/c1-18-8-9(7-15-18)4-5-14-12-16-11-10(13)3-2-6-19(11)17-12/h2-3,6-8H,4-5H2,1H3,(H,14,17)
InChIKeyGWSWKNZASWGHLH-UHFFFAOYSA-N
XLogP1.88
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

7-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 80688541
8-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 115990428
2-bromo-6-[2-(1-methylpyrazol-4-yl)ethylamino]benzenecarbothioamide
CID 114882588
3-bromo-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 103688607
4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-methoxybutan-2-ol
CID 114163784
2,6-dibromo-4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 114209108
8-bromo-N-(2-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 104591764
3-bromo-4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 103747961
2-(1-methylpyrazol-3-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 106104866
6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine
CID 80680913
2-[2-(1-methylpyrazol-4-yl)ethylamino]pyrimidine-4-carbonitrile
CID 107544896
3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 104540597

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 80688703) is 8-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cn1cc(CCNc2nc3c(Br)cccn3n2)cn1.
What is the InChIKey of 8-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is GWSWKNZASWGHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN6/c1-18-8-9(7-15-18)4-5-14-12-16-11-10(13)3-2-6-19(11)17-12/h2-3,6-8H,4-5H2,1H3,(H,14,17).
What are the key properties of 8-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 321.18 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 80688703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).