1-(4-bromophenyl)-5-propyltriazol-4-amine

C11H13BrN4 — CID 79502698

IUPAC1-(4-bromophenyl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1-c1ccc(Br)cc1
InChIInChI=1S/C11H13BrN4/c1-2-3-10-11(13)14-15-16(10)9-6-4-8(12)5-7-9/h4-7H,2-3,13H2,1H3
InChIKeyVKVDREIZDFNMKS-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.56
Rot. Bonds3

About 1-(4-bromophenyl)-5-propyltriazol-4-amine

1-(4-bromophenyl)-5-propyltriazol-4-amine (PubChem CID 79502698) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-propyltriazol-4-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-propyltriazol-4-amine
PubChem CID79502698
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name1-(4-bromophenyl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1-c1ccc(Br)cc1
InChIInChI=1S/C11H13BrN4/c1-2-3-10-11(13)14-15-16(10)9-6-4-8(12)5-7-9/h4-7H,2-3,13H2,1H3
InChIKeyVKVDREIZDFNMKS-UHFFFAOYSA-N
XLogP2.56
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-propyltriazol-4-amine?
The IUPAC name of 1-(4-bromophenyl)-5-propyltriazol-4-amine (CID 79502698) is 1-(4-bromophenyl)-5-propyltriazol-4-amine.
What is the SMILES notation for 1-(4-bromophenyl)-5-propyltriazol-4-amine?
The canonical SMILES for 1-(4-bromophenyl)-5-propyltriazol-4-amine is CCCc1c(N)nnn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-propyltriazol-4-amine?
The InChIKey is VKVDREIZDFNMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-2-3-10-11(13)14-15-16(10)9-6-4-8(12)5-7-9/h4-7H,2-3,13H2,1H3.
What are the key properties of 1-(4-bromophenyl)-5-propyltriazol-4-amine?
1-(4-bromophenyl)-5-propyltriazol-4-amine has a molecular weight of 281.16 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-propyltriazol-4-amine is sourced from PubChem (CID 79502698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).