6-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C12H13BrN6 — CID 103007609

IUPAC6-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCn1nccc1CCNc1nc2ccc(Br)cn2n1
InChIInChI=1S/C12H13BrN6/c1-18-10(5-7-15-18)4-6-14-12-16-11-3-2-9(13)8-19(11)17-12/h2-3,5,7-8H,4,6H2,1H3,(H,14,17)
InChIKeyFZVFCCRHEZCJBG-UHFFFAOYSA-N
MW321.18 g/mol
LogP1.88
Rot. Bonds4

About 6-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 103007609) has the molecular formula C12H13BrN6 and a molecular weight of 321.18 g/mol. Its IUPAC name is 6-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID103007609
Molecular FormulaC12H13BrN6
Molecular Weight321.18 g/mol
Exact Mass320.04
IUPAC Name6-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCn1nccc1CCNc1nc2ccc(Br)cn2n1
InChIInChI=1S/C12H13BrN6/c1-18-10(5-7-15-18)4-6-14-12-16-11-3-2-9(13)8-19(11)17-12/h2-3,5,7-8H,4,6H2,1H3,(H,14,17)
InChIKeyFZVFCCRHEZCJBG-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 6-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

6-bromo-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 107143628
3-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2,3-dimethylbutan-2-ol
CID 114156336
2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine
CID 103004407
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000710
1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-amine
CID 103001663
2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000748
3-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]azetidin-3-ol
CID 114189657
2-N,2-N-dimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 103012622
2,5-dibromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693968
2-bromo-5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103001743
4-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 103010009
4-ethoxy-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine
CID 103007614

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 103007609) is 6-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cn1nccc1CCNc1nc2ccc(Br)cn2n1.
What is the InChIKey of 6-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is FZVFCCRHEZCJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN6/c1-18-10(5-7-15-18)4-6-14-12-16-11-3-2-9(13)8-19(11)17-12/h2-3,5,7-8H,4,6H2,1H3,(H,14,17).
What are the key properties of 6-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-bromo-N-[2-(2-methylpyrazol-3-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 6-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 103007609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).