N-[(4-bromothiophen-2-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C12H11BrN4S — CID 60965431

IUPACN-[(4-bromothiophen-2-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NCc2cc(Br)cs2)n2ncnc2c1
InChIInChI=1S/C12H11BrN4S/c1-8-2-11(17-12(3-8)15-7-16-17)14-5-10-4-9(13)6-18-10/h2-4,6-7,14H,5H2,1H3
InChIKeyCFLODDICDGLQPM-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.47
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

N-[(4-bromothiophen-2-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 60965431) has the molecular formula C12H11BrN4S and a molecular weight of 323.22 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID60965431
Molecular FormulaC12H11BrN4S
Molecular Weight323.22 g/mol
Exact Mass321.99
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NCc2cc(Br)cs2)n2ncnc2c1
InChIInChI=1S/C12H11BrN4S/c1-8-2-11(17-12(3-8)15-7-16-17)14-5-10-4-9(13)6-18-10/h2-4,6-7,14H,5H2,1H3
InChIKeyCFLODDICDGLQPM-UHFFFAOYSA-N
XLogP3.47
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 60965431) is N-[(4-bromothiophen-2-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Cc1cc(NCc2cc(Br)cs2)n2ncnc2c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is CFLODDICDGLQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4S/c1-8-2-11(17-12(3-8)15-7-16-17)14-5-10-4-9(13)6-18-10/h2-4,6-7,14H,5H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
N-[(4-bromothiophen-2-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 323.22 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 60965431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).