7-[3-(4-bromophenoxy)furan-2-yl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C16H12BrN5O2 — CID 70277885

IUPAC7-[3-(4-bromophenoxy)furan-2-yl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1c(-c2occc2Oc2ccc(Br)cc2)nc(N)n2ncnc12
InChIInChI=1S/C16H12BrN5O2/c1-9-13(21-16(18)22-15(9)19-8-20-22)14-12(6-7-23-14)24-11-4-2-10(17)3-5-11/h2-8H,1H3,(H2,18,21)
InChIKeyAMQWRJWPPKWQCL-UHFFFAOYSA-N
MW386.21 g/mol
LogP3.83
Rot. Bonds3

About 7-[3-(4-bromophenoxy)furan-2-yl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-[3-(4-bromophenoxy)furan-2-yl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 70277885) has the molecular formula C16H12BrN5O2 and a molecular weight of 386.21 g/mol. Its IUPAC name is 7-[3-(4-bromophenoxy)furan-2-yl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-[3-(4-bromophenoxy)furan-2-yl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID70277885
Molecular FormulaC16H12BrN5O2
Molecular Weight386.21 g/mol
Exact Mass385.02
IUPAC Name7-[3-(4-bromophenoxy)furan-2-yl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1c(-c2occc2Oc2ccc(Br)cc2)nc(N)n2ncnc12
InChIInChI=1S/C16H12BrN5O2/c1-9-13(21-16(18)22-15(9)19-8-20-22)14-12(6-7-23-14)24-11-4-2-10(17)3-5-11/h2-8H,1H3,(H2,18,21)
InChIKeyAMQWRJWPPKWQCL-UHFFFAOYSA-N
XLogP3.83
TPSA91.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.21
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-bromophenoxy)furan-2-yl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-[3-(4-bromophenoxy)furan-2-yl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 70277885) is 7-[3-(4-bromophenoxy)furan-2-yl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-[3-(4-bromophenoxy)furan-2-yl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-[3-(4-bromophenoxy)furan-2-yl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1c(-c2occc2Oc2ccc(Br)cc2)nc(N)n2ncnc12.
What is the InChIKey of 7-[3-(4-bromophenoxy)furan-2-yl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is AMQWRJWPPKWQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN5O2/c1-9-13(21-16(18)22-15(9)19-8-20-22)14-12(6-7-23-14)24-11-4-2-10(17)3-5-11/h2-8H,1H3,(H2,18,21).
What are the key properties of 7-[3-(4-bromophenoxy)furan-2-yl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-[3-(4-bromophenoxy)furan-2-yl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 386.21 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-bromophenoxy)furan-2-yl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 70277885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).