1-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)-9H-carbazol-2-amine

C22H19N5 — CID 175852158

IUPAC1-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)-9H-carbazol-2-amine
SMILESCCc1c(N)c(-c2ccccc2)c(-n2cncn2)c2c1[nH]c1ccccc12
InChIInChI=1S/C22H19N5/c1-2-15-20(23)18(14-8-4-3-5-9-14)22(27-13-24-12-25-27)19-16-10-6-7-11-17(16)26-21(15)19/h3-13,26H,2,23H2,1H3
InChIKeyMOZLJHQTUAVSIC-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.71
Rot. Bonds3

About 1-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)-9H-carbazol-2-amine

1-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)-9H-carbazol-2-amine (PubChem CID 175852158) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)-9H-carbazol-2-amine.

Molecular Properties

Compound Name1-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)-9H-carbazol-2-amine
PubChem CID175852158
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC Name1-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)-9H-carbazol-2-amine
SMILESCCc1c(N)c(-c2ccccc2)c(-n2cncn2)c2c1[nH]c1ccccc12
InChIInChI=1S/C22H19N5/c1-2-15-20(23)18(14-8-4-3-5-9-14)22(27-13-24-12-25-27)19-16-10-6-7-11-17(16)26-21(15)19/h3-13,26H,2,23H2,1H3
InChIKeyMOZLJHQTUAVSIC-UHFFFAOYSA-N
XLogP4.71
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)-9H-carbazol-2-amine?
The IUPAC name of 1-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)-9H-carbazol-2-amine (CID 175852158) is 1-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)-9H-carbazol-2-amine.
What is the SMILES notation for 1-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)-9H-carbazol-2-amine?
The canonical SMILES for 1-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)-9H-carbazol-2-amine is CCc1c(N)c(-c2ccccc2)c(-n2cncn2)c2c1[nH]c1ccccc12.
What is the InChIKey of 1-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)-9H-carbazol-2-amine?
The InChIKey is MOZLJHQTUAVSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-2-15-20(23)18(14-8-4-3-5-9-14)22(27-13-24-12-25-27)19-16-10-6-7-11-17(16)26-21(15)19/h3-13,26H,2,23H2,1H3.
What are the key properties of 1-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)-9H-carbazol-2-amine?
1-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)-9H-carbazol-2-amine has a molecular weight of 353.43 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)-9H-carbazol-2-amine is sourced from PubChem (CID 175852158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).