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

C11H15BrN4 — CID 65347548

IUPAC1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1nnc2ccc(Br)cn12
InChIInChI=1S/C11H15BrN4/c1-3-13-8(2)6-11-15-14-10-5-4-9(12)7-16(10)11/h4-5,7-8,13H,3,6H2,1-2H3
InChIKeyUVZQRXYALCAIOT-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.03
Rot. Bonds4

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

1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-ethylpropan-2-amine (PubChem CID 65347548) has the molecular formula C11H15BrN4 and a molecular weight of 283.17 g/mol. Its IUPAC name is 1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-ethylpropan-2-amine
PubChem CID65347548
Molecular FormulaC11H15BrN4
Molecular Weight283.17 g/mol
Exact Mass282.05
IUPAC Name1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1nnc2ccc(Br)cn12
InChIInChI=1S/C11H15BrN4/c1-3-13-8(2)6-11-15-14-10-5-4-9(12)7-16(10)11/h4-5,7-8,13H,3,6H2,1-2H3
InChIKeyUVZQRXYALCAIOT-UHFFFAOYSA-N
XLogP2.03
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]butan-2-amine
CID 65347942
6-bromo-3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117257133
1-(5-bromo-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine
CID 62828331
4-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]aniline
CID 65349371
1-(6-bromoimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-2-amine
CID 117253792
3-[(4-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139685
N-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-chloroaniline
CID 65348129
N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]propan-2-amine
CID 115651289
2-amino-2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 65347901
6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139205
1-[3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropan-1-amine
CID 83866657
6-bromo-2-(2-methylpropyl)imidazo[1,2-a]pyridin-3-amine
CID 63618962

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-ethylpropan-2-amine (CID 65347548) is 1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-ethylpropan-2-amine is CCNC(C)Cc1nnc2ccc(Br)cn12.
What is the InChIKey of 1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-ethylpropan-2-amine?
The InChIKey is UVZQRXYALCAIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4/c1-3-13-8(2)6-11-15-14-10-5-4-9(12)7-16(10)11/h4-5,7-8,13H,3,6H2,1-2H3.
What are the key properties of 1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-ethylpropan-2-amine?
1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-ethylpropan-2-amine has a molecular weight of 283.17 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-ethylpropan-2-amine is sourced from PubChem (CID 65347548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).