3-(4-chlorophenyl)-5-propan-2-yltriazol-4-amine

C11H13ClN4 — CID 105498545

IUPAC3-(4-chlorophenyl)-5-propan-2-yltriazol-4-amine
SMILESCC(C)c1nnn(-c2ccc(Cl)cc2)c1N
InChIInChI=1S/C11H13ClN4/c1-7(2)10-11(13)16(15-14-10)9-5-3-8(12)4-6-9/h3-7H,13H2,1-2H3
InChIKeyOZISZQQOSMZNGV-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.63
Rot. Bonds2

About 3-(4-chlorophenyl)-5-propan-2-yltriazol-4-amine

3-(4-chlorophenyl)-5-propan-2-yltriazol-4-amine (PubChem CID 105498545) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-propan-2-yltriazol-4-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-propan-2-yltriazol-4-amine
PubChem CID105498545
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name3-(4-chlorophenyl)-5-propan-2-yltriazol-4-amine
SMILESCC(C)c1nnn(-c2ccc(Cl)cc2)c1N
InChIInChI=1S/C11H13ClN4/c1-7(2)10-11(13)16(15-14-10)9-5-3-8(12)4-6-9/h3-7H,13H2,1-2H3
InChIKeyOZISZQQOSMZNGV-UHFFFAOYSA-N
XLogP2.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-propan-2-yltriazol-4-amine?
The IUPAC name of 3-(4-chlorophenyl)-5-propan-2-yltriazol-4-amine (CID 105498545) is 3-(4-chlorophenyl)-5-propan-2-yltriazol-4-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-5-propan-2-yltriazol-4-amine?
The canonical SMILES for 3-(4-chlorophenyl)-5-propan-2-yltriazol-4-amine is CC(C)c1nnn(-c2ccc(Cl)cc2)c1N.
What is the InChIKey of 3-(4-chlorophenyl)-5-propan-2-yltriazol-4-amine?
The InChIKey is OZISZQQOSMZNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-7(2)10-11(13)16(15-14-10)9-5-3-8(12)4-6-9/h3-7H,13H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-5-propan-2-yltriazol-4-amine?
3-(4-chlorophenyl)-5-propan-2-yltriazol-4-amine has a molecular weight of 236.71 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-propan-2-yltriazol-4-amine is sourced from PubChem (CID 105498545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).