3-(5-bromopyrimidin-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine

C11H9BrN6OS — CID 133374447

IUPAC3-(5-bromopyrimidin-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine
SMILESCc1occc1-c1nnc(Sc2ncc(Br)cn2)n1N
InChIInChI=1S/C11H9BrN6OS/c1-6-8(2-3-19-6)9-16-17-11(18(9)13)20-10-14-4-7(12)5-15-10/h2-5H,13H2,1H3
InChIKeyRZUCKMDGNZKNAX-UHFFFAOYSA-N
MW353.21 g/mol
LogP2.26
Rot. Bonds3

About 3-(5-bromopyrimidin-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine

3-(5-bromopyrimidin-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine (PubChem CID 133374447) has the molecular formula C11H9BrN6OS and a molecular weight of 353.21 g/mol. Its IUPAC name is 3-(5-bromopyrimidin-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(5-bromopyrimidin-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine
PubChem CID133374447
Molecular FormulaC11H9BrN6OS
Molecular Weight353.21 g/mol
Exact Mass351.97
IUPAC Name3-(5-bromopyrimidin-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine
SMILESCc1occc1-c1nnc(Sc2ncc(Br)cn2)n1N
InChIInChI=1S/C11H9BrN6OS/c1-6-8(2-3-19-6)9-16-17-11(18(9)13)20-10-14-4-7(12)5-15-10/h2-5H,13H2,1H3
InChIKeyRZUCKMDGNZKNAX-UHFFFAOYSA-N
XLogP2.26
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-methylfuran-3-yl)-5-(4-methylpyrimidin-2-yl)sulfanyl-1,2,4-triazol-4-amine
CID 133374393
3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pyrazine-2-carbonitrile
CID 133374396
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile
CID 133374433
3-(2-methylfuran-3-yl)-5-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]-1,2,4-triazol-4-amine
CID 133472602
3-(2-methylfuran-3-yl)-5-(3-methyl-4-nitrophenyl)sulfanyl-1,2,4-triazol-4-amine
CID 133443770
3-(2-methylfuran-3-yl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine
CID 35168947
3-(2-methylfuran-3-yl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 51141220
4-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile
CID 24675003
1-[2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 35360844
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitrobenzonitrile
CID 133374468
3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine
CID 133374454
3-[3-(4-fluorophenoxy)propylsulfanyl]-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine
CID 31431553

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromopyrimidin-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-(5-bromopyrimidin-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine (CID 133374447) is 3-(5-bromopyrimidin-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(5-bromopyrimidin-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(5-bromopyrimidin-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine is Cc1occc1-c1nnc(Sc2ncc(Br)cn2)n1N.
What is the InChIKey of 3-(5-bromopyrimidin-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine?
The InChIKey is RZUCKMDGNZKNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN6OS/c1-6-8(2-3-19-6)9-16-17-11(18(9)13)20-10-14-4-7(12)5-15-10/h2-5H,13H2,1H3.
What are the key properties of 3-(5-bromopyrimidin-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine?
3-(5-bromopyrimidin-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine has a molecular weight of 353.21 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromopyrimidin-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 133374447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).