1-(4-chlorophenyl)-5-cyclopropyltriazol-4-amine

C11H11ClN4 — CID 79501505

IUPAC1-(4-chlorophenyl)-5-cyclopropyltriazol-4-amine
SMILESNc1nnn(-c2ccc(Cl)cc2)c1C1CC1
InChIInChI=1S/C11H11ClN4/c12-8-3-5-9(6-4-8)16-10(7-1-2-7)11(13)14-15-16/h3-7H,1-2,13H2
InChIKeyHWMUPBYCWVNZLY-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.38
Rot. Bonds2

About 1-(4-chlorophenyl)-5-cyclopropyltriazol-4-amine

1-(4-chlorophenyl)-5-cyclopropyltriazol-4-amine (PubChem CID 79501505) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-cyclopropyltriazol-4-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-cyclopropyltriazol-4-amine
PubChem CID79501505
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name1-(4-chlorophenyl)-5-cyclopropyltriazol-4-amine
SMILESNc1nnn(-c2ccc(Cl)cc2)c1C1CC1
InChIInChI=1S/C11H11ClN4/c12-8-3-5-9(6-4-8)16-10(7-1-2-7)11(13)14-15-16/h3-7H,1-2,13H2
InChIKeyHWMUPBYCWVNZLY-UHFFFAOYSA-N
XLogP2.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-cyclopropyltriazol-4-amine?
The IUPAC name of 1-(4-chlorophenyl)-5-cyclopropyltriazol-4-amine (CID 79501505) is 1-(4-chlorophenyl)-5-cyclopropyltriazol-4-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-5-cyclopropyltriazol-4-amine?
The canonical SMILES for 1-(4-chlorophenyl)-5-cyclopropyltriazol-4-amine is Nc1nnn(-c2ccc(Cl)cc2)c1C1CC1.
What is the InChIKey of 1-(4-chlorophenyl)-5-cyclopropyltriazol-4-amine?
The InChIKey is HWMUPBYCWVNZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c12-8-3-5-9(6-4-8)16-10(7-1-2-7)11(13)14-15-16/h3-7H,1-2,13H2.
What are the key properties of 1-(4-chlorophenyl)-5-cyclopropyltriazol-4-amine?
1-(4-chlorophenyl)-5-cyclopropyltriazol-4-amine has a molecular weight of 234.69 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-cyclopropyltriazol-4-amine is sourced from PubChem (CID 79501505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).